5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide

C14H16ClN5O — CID 6498258

IUPAC5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
SMILESNc1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-9-5-7-11(8-6-9)20-13(16)12(18-19-20)14(21)17-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,21)
InChIKeyAQKOBWYGNFGKHP-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.18
Rot. Bonds3

About 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide

5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide (PubChem CID 6498258) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
PubChem CID6498258
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
SMILESNc1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-9-5-7-11(8-6-9)20-13(16)12(18-19-20)14(21)17-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,21)
InChIKeyAQKOBWYGNFGKHP-UHFFFAOYSA-N
XLogP2.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.18
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-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
(1S,7S)-3-(4-chlorophenyl)-N-cyclohexyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 15603150
3-(4-chlorophenyl)-N-cyclohexyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029401
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-cyclohexyl-5-methyltriazole-4-carboxamide
CID 17015379
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide (CID 6498258) is 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide is Nc1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The InChIKey is AQKOBWYGNFGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-9-5-7-11(8-6-9)20-13(16)12(18-19-20)14(21)17-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,21).
What are the key properties of 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide is sourced from PubChem (CID 6498258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).