5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide

C15H19N5O — CID 4102161

IUPAC5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NC3CCCC3)c2N)c1
InChIInChI=1S/C15H19N5O/c1-10-5-4-8-12(9-10)20-14(16)13(18-19-20)15(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,16H2,1H3,(H,17,21)
InChIKeyCNBPGJYRBICTGG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds3

About 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 4102161) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID4102161
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NC3CCCC3)c2N)c1
InChIInChI=1S/C15H19N5O/c1-10-5-4-8-12(9-10)20-14(16)13(18-19-20)15(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,16H2,1H3,(H,17,21)
InChIKeyCNBPGJYRBICTGG-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 6498309
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936611
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
CID 95784960

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 4102161) is 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NC3CCCC3)c2N)c1.
What is the InChIKey of 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is CNBPGJYRBICTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-5-4-8-12(9-10)20-14(16)13(18-19-20)15(21)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,16H2,1H3,(H,17,21).
What are the key properties of 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 4102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).