2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C12H8FN3O — CID 136633225

IUPAC2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C12H8FN3O/c13-9-5-3-8(4-6-9)11-14-12(17)10-2-1-7-16(10)15-11/h1-7H,(H,14,15,17)
InChIKeySMWDHIZANHNSBQ-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 136633225) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID136633225
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nn2cccc12
InChIInChI=1S/C12H8FN3O/c13-9-5-3-8(4-6-9)11-14-12(17)10-2-1-7-16(10)15-11/h1-7H,(H,14,15,17)
InChIKeySMWDHIZANHNSBQ-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110290
N-(1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 3343155
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2986306
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide
CID 5340941

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 136633225) is 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]c(-c2ccc(F)cc2)nn2cccc12.
What is the InChIKey of 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SMWDHIZANHNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-5-3-8(4-6-9)11-14-12(17)10-2-1-7-16(10)15-11/h1-7H,(H,14,15,17).
What are the key properties of 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 229.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136633225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).