1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide

C19H24ClN5O — CID 77087669

IUPAC1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)nn2)CC1
InChIInChI=1S/C19H24ClN5O/c20-14-4-2-13(3-5-14)19(10-1-11-19)22-18(26)17-12-25(24-23-17)16-8-6-15(21)7-9-16/h2-5,12,15-16H,1,6-11,21H2,(H,22,26)
InChIKeyIDOXNYYVVUCLIR-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide (PubChem CID 77087669) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
PubChem CID77087669
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)nn2)CC1
InChIInChI=1S/C19H24ClN5O/c20-14-4-2-13(3-5-14)19(10-1-11-19)22-18(26)17-12-25(24-23-17)16-8-6-15(21)7-9-16/h2-5,12,15-16H,1,6-11,21H2,(H,22,26)
InChIKeyIDOXNYYVVUCLIR-UHFFFAOYSA-N
XLogP3.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697525
1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
CID 119806404
1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
CID 70768511
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556
1-(4-aminocyclohexyl)-N-[3-chloro-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 131942753
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-[1-[1-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]-1-cyclohexyltriazole-4-carboxamide
CID 166343146
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclohexane-1-carboxamide
CID 119766559
1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 134695815
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide (CID 77087669) is 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide is NC1CCC(n2cc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide?
The InChIKey is IDOXNYYVVUCLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-14-4-2-13(3-5-14)19(10-1-11-19)22-18(26)17-12-25(24-23-17)16-8-6-15(21)7-9-16/h2-5,12,15-16H,1,6-11,21H2,(H,22,26).
What are the key properties of 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide is sourced from PubChem (CID 77087669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).