N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride

C17H24ClN5O2 — CID 119475250

IUPACN-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-n2nnc(C(=O)NC3CCC(N)CC3)c2C)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11-16(17(23)19-13-5-3-12(18)4-6-13)20-21-22(11)14-7-9-15(24-2)10-8-14;/h7-10,12-13H,3-6,18H2,1-2H3,(H,19,23);1H
InChIKeyGEJNPRHDWONMRY-UHFFFAOYSA-N
MW365.87 g/mol
LogP2.01
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride (PubChem CID 119475250) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
PubChem CID119475250
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-n2nnc(C(=O)NC3CCC(N)CC3)c2C)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11-16(17(23)19-13-5-3-12(18)4-6-13)20-21-22(11)14-7-9-15(24-2)10-8-14;/h7-10,12-13H,3-6,18H2,1-2H3,(H,19,23);1H
InChIKeyGEJNPRHDWONMRY-UHFFFAOYSA-N
XLogP2.01
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride 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-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112846042
1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555823
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
cis-(1S,3R)-3-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676436
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 120819229
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone
CID 126469978
5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 55872567

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride (CID 119475250) is N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride is COc1ccc(-n2nnc(C(=O)NC3CCC(N)CC3)c2C)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
The InChIKey is GEJNPRHDWONMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-11-16(17(23)19-13-5-3-12(18)4-6-13)20-21-22(11)14-7-9-15(24-2)10-8-14;/h7-10,12-13H,3-6,18H2,1-2H3,(H,19,23);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119475250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).