2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide

C15H19FN6O — CID 119447017

IUPAC2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN6O/c16-12-1-3-13(4-2-12)22-19-11-14(20-22)15(23)18-7-10-21-8-5-17-6-9-21/h1-4,11,17H,5-10H2,(H,18,23)
InChIKeyIHHXNDWHFDJHCM-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.04
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide

2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide (PubChem CID 119447017) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
PubChem CID119447017
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN6O/c16-12-1-3-13(4-2-12)22-19-11-14(20-22)15(23)18-7-10-21-8-5-17-6-9-21/h1-4,11,17H,5-10H2,(H,18,23)
InChIKeyIHHXNDWHFDJHCM-UHFFFAOYSA-N
XLogP0.04
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 111566187
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
5-cyano-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 63724069
2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
CID 146154734
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide (CID 119447017) is 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide is O=C(NCCN1CCNCC1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is IHHXNDWHFDJHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-12-1-3-13(4-2-12)22-19-11-14(20-22)15(23)18-7-10-21-8-5-17-6-9-21/h1-4,11,17H,5-10H2,(H,18,23).
What are the key properties of 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide?
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 119447017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).