5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide

C15H19N5O — CID 6498288

IUPAC5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2)nnn1-c1ccccc1
InChIInChI=1S/C15H19N5O/c16-14-13(15(21)17-11-7-3-1-4-8-11)18-19-20(14)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8,16H2,(H,17,21)
InChIKeyAPXGEVROFRWVAC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.91
Rot. Bonds3

About 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide

5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide (PubChem CID 6498288) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
PubChem CID6498288
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2)nnn1-c1ccccc1
InChIInChI=1S/C15H19N5O/c16-14-13(15(21)17-11-7-3-1-4-8-11)18-19-20(14)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8,16H2,(H,17,21)
InChIKeyAPXGEVROFRWVAC-UHFFFAOYSA-N
XLogP1.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 6498309
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861098
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide (CID 6498288) is 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide is Nc1c(C(=O)NC2CCCCC2)nnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide?
The InChIKey is APXGEVROFRWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14-13(15(21)17-11-7-3-1-4-8-11)18-19-20(14)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8,16H2,(H,17,21).
What are the key properties of 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide?
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 6498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).