[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone

C15H10ClFN4O — CID 46269774

IUPAC[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1F
InChIInChI=1S/C15H10ClFN4O/c16-10-7-5-9(6-8-10)13-19-15(18)21(20-13)14(22)11-3-1-2-4-12(11)17/h1-8H,(H2,18,19,20)
InChIKeyNGUAHSXLCBGKQV-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.01
Rot. Bonds2

About [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone

[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 46269774) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone
PubChem CID46269774
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1F
InChIInChI=1S/C15H10ClFN4O/c16-10-7-5-9(6-8-10)13-19-15(18)21(20-13)14(22)11-3-1-2-4-12(11)17/h1-8H,(H2,18,19,20)
InChIKeyNGUAHSXLCBGKQV-UHFFFAOYSA-N
XLogP3.01
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 50751012
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methylphenyl)methanone
CID 46269681
[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 46269691
1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]pentan-1-one
CID 46269766
(5-amino-3-pyridin-4-yl-1,2,4-triazol-1-yl)-phenylmethanone
CID 71253732
1-[5-amino-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
CID 50751047
1-[5-amino-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
CID 50751070
3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide
CID 11210560
1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone
CID 46269706
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828601
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
CID 91558416
1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone
CID 753273

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone (CID 46269774) is [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone is Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1F.
What is the InChIKey of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is NGUAHSXLCBGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-10-7-5-9(6-8-10)13-19-15(18)21(20-13)14(22)11-3-1-2-4-12(11)17/h1-8H,(H2,18,19,20).
What are the key properties of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone?
[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 316.72 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 46269774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).