1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide

C19H26ClN5O — CID 42348988

IUPAC1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CCCCC1
InChIInChI=1S/C19H26ClN5O/c1-24(2)19(10-4-3-5-11-19)14-21-18(26)17-13-25(23-22-17)12-15-6-8-16(20)9-7-15/h6-9,13H,3-5,10-12,14H2,1-2H3,(H,21,26)
InChIKeyPNKLKEOQVGULLO-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.97
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide (PubChem CID 42348988) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
PubChem CID42348988
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CCCCC1
InChIInChI=1S/C19H26ClN5O/c1-24(2)19(10-4-3-5-11-19)14-21-18(26)17-13-25(23-22-17)12-15-6-8-16(20)9-7-15/h6-9,13H,3-5,10-12,14H2,1-2H3,(H,21,26)
InChIKeyPNKLKEOQVGULLO-UHFFFAOYSA-N
XLogP2.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide (CID 42348988) is 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide?
The InChIKey is PNKLKEOQVGULLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-24(2)19(10-4-3-5-11-19)14-21-18(26)17-13-25(23-22-17)12-15-6-8-16(20)9-7-15/h6-9,13H,3-5,10-12,14H2,1-2H3,(H,21,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 42348988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).