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CAS No.: | 1150617-73-4 |
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Name: | 2-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one |
Molecular Structure: | |
Formula: | C7H7N3O |
Molecular Weight: | 149.15 |
Synonyms: | Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-methyl-; |
Density: | 1.424 g/cm3 |
Boiling Point: | 303.8±25.0 °C(Predicted) |
PSA: | 50.16000 |
LogP: | 0.33100 |
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The CAS register number of 2-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one is 1150617-73-4. It also can be called as Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-methyl- and the systematic name about this chemical is 2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one. The molecular formula about this chemical is C7H7N3O and the molecular weight is 149.15.
Physical properties about 2-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one are: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 0.406; (3)ACD/LogD (pH 7.4): 0.342; (4)ACD/BCF (pH 5.5): 1.197; (5)ACD/BCF (pH 7.4): 1.035; (6)ACD/KOC (pH 5.5): 39.559; (7)ACD/KOC (pH 7.4): 34.198; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.39Å2; (11)Index of Refraction: 1.699; (12)Molar Refractivity: 40.434 cm3; (13)Molar Volume: 104.717 cm3; (14)Polarizability: 16.029x10-24cm3; (15)Surface Tension: 56.277 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1[nH]c(=O)c2cccn2n1
(2)InChI: InChI=1/C7H7N3O/c1-5-8-7(11)6-3-2-4-10(6)9-5/h2-4H,1H3,(H,8,9,11)
(3)InChIKey: KYLCRQWYTHFOLK-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H7N3O/c1-5-8-7(11)6-3-2-4-10(6)9-5/h2-4H,1H3,(H,8,9,11)
(5)Std. InChIKey: KYLCRQWYTHFOLK-UHFFFAOYSA-N