2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride

C15H21ClN6O — CID 119448479

IUPAC2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N6O.ClH/c22-15(17-8-11-20-9-6-16-7-10-20)14-12-18-21(19-14)13-4-2-1-3-5-13;/h1-5,12,16H,6-11H2,(H,17,22);1H
InChIKeyCGRJXXLHYBAHRA-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.32
Rot. Bonds5

About 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride

2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119448479) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119448479
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N6O.ClH/c22-15(17-8-11-20-9-6-16-7-10-20)14-12-18-21(19-14)13-4-2-1-3-5-13;/h1-5,12,16H,6-11H2,(H,17,22);1H
InChIKeyCGRJXXLHYBAHRA-UHFFFAOYSA-N
XLogP0.32
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119101235
1-phenyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126771769
N-(2-azidoethyl)-2-phenyltriazole-4-carboxamide
CID 61342677
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-hex-5-ynyl-2-phenyltriazole-4-carboxamide
CID 103758153
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
CID 114696468
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 121120018

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride (CID 119448479) is 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is CGRJXXLHYBAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c22-15(17-8-11-20-9-6-16-7-10-20)14-12-18-21(19-14)13-4-2-1-3-5-13;/h1-5,12,16H,6-11H2,(H,17,22);1H.
What are the key properties of 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride?
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).