(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone

C9H7FN4O — CID 765573

IUPAC(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone
SMILESNc1nncn1C(=O)c1ccccc1F
InChIInChI=1S/C9H7FN4O/c10-7-4-2-1-3-6(7)8(15)14-5-12-13-9(14)11/h1-5H,(H2,11,13)
InChIKeyCJQGJFJBWBWUPC-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.69
Rot. Bonds1

About (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone

(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone (PubChem CID 765573) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone
PubChem CID765573
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone
SMILESNc1nncn1C(=O)c1ccccc1F
InChIInChI=1S/C9H7FN4O/c10-7-4-2-1-3-6(7)8(15)14-5-12-13-9(14)11/h1-5H,(H2,11,13)
InChIKeyCJQGJFJBWBWUPC-UHFFFAOYSA-N
XLogP0.69
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135465188
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
CID 795426
4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 887464
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 892616
4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 894972
4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 912604

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone (CID 765573) is (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone is Nc1nncn1C(=O)c1ccccc1F.
What is the InChIKey of (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is CJQGJFJBWBWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-7-4-2-1-3-6(7)8(15)14-5-12-13-9(14)11/h1-5H,(H2,11,13).
What are the key properties of (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone?
(3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 206.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 765573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).