1-cyclohexylbenzotriazole-5-carboxamide

C13H16N4O — CID 53015649

IUPAC1-cyclohexylbenzotriazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C13H16N4O/c14-13(18)9-6-7-12-11(8-9)15-16-17(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,14,18)
InChIKeyIRBUZPBDTHLOAV-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.04
Rot. Bonds2

About 1-cyclohexylbenzotriazole-5-carboxamide

1-cyclohexylbenzotriazole-5-carboxamide (PubChem CID 53015649) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-cyclohexylbenzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexylbenzotriazole-5-carboxamide
PubChem CID53015649
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-cyclohexylbenzotriazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C13H16N4O/c14-13(18)9-6-7-12-11(8-9)15-16-17(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,14,18)
InChIKeyIRBUZPBDTHLOAV-UHFFFAOYSA-N
XLogP2.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylbenzotriazole-5-carboxylate
CID 7013530
1-cyclopropylbenzotriazole-5-carboxylic acid
CID 10465474
ethyl 4-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051674
1-cyclohexyl-N-[(2R)-2-(dimethylamino)-3-methylbutyl]benzotriazole-5-carboxamide
CID 92613233
1-cyclohexyl-N-[(2S)-2-(dimethylamino)-3-methylbutyl]benzotriazole-5-carboxamide
CID 92613232
1-(1,1-dioxothian-3-yl)benzotriazole-5-carboxylic acid
CID 63922366
1-(2-methylcyclohexyl)benzotriazole-5-carboxylic acid
CID 43187095
1-cyclohexyl-N-[2-(2-fluorophenyl)-2-methylpropyl]benzotriazole-5-carboxamide
CID 46952052
1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
CID 46296501
2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 138579359
N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932899
3-cyclopropylbenzotriazole-5-carboxylic acid
CID 82784612

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylbenzotriazole-5-carboxamide?
The IUPAC name of 1-cyclohexylbenzotriazole-5-carboxamide (CID 53015649) is 1-cyclohexylbenzotriazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexylbenzotriazole-5-carboxamide?
The canonical SMILES for 1-cyclohexylbenzotriazole-5-carboxamide is NC(=O)c1ccc2c(c1)nnn2C1CCCCC1.
What is the InChIKey of 1-cyclohexylbenzotriazole-5-carboxamide?
The InChIKey is IRBUZPBDTHLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13(18)9-6-7-12-11(8-9)15-16-17(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,14,18).
What are the key properties of 1-cyclohexylbenzotriazole-5-carboxamide?
1-cyclohexylbenzotriazole-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53015649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).