N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide

C15H18N4O — CID 42880791

IUPACN-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H,17,20)
InChIKeyQINJORZQJDAEGJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.33
Rot. Bonds3

About N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42880791) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42880791
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H,17,20)
InChIKeyQINJORZQJDAEGJ-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
1-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538696
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
N-cyclopentyl-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 20931695

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42880791) is N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NC1CCCCC1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QINJORZQJDAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H,17,20).
What are the key properties of N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).