N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride

C18H25Cl2N5O — CID 119476108

IUPACN-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)NC2CCC(N)CC2)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-2-4-16-17(18(25)21-14-9-7-13(20)8-10-14)22-23-24(16)15-6-3-5-12(19)11-15;/h3,5-6,11,13-14H,2,4,7-10,20H2,1H3,(H,21,25);1H
InChIKeyKPXAAICOMGMKNQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.29
Rot. Bonds5

About N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride (PubChem CID 119476108) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
PubChem CID119476108
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC NameN-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)NC2CCC(N)CC2)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-2-4-16-17(18(25)21-14-9-7-13(20)8-10-14)22-23-24(16)15-6-3-5-12(19)11-15;/h3,5-6,11,13-14H,2,4,7-10,20H2,1H3,(H,21,25);1H
InChIKeyKPXAAICOMGMKNQ-UHFFFAOYSA-N
XLogP3.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119424737
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424738
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
2-[[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119346735
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride (CID 119476108) is N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride is CCCc1c(C(=O)NC2CCC(N)CC2)nnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride?
The InChIKey is KPXAAICOMGMKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O.ClH/c1-2-4-16-17(18(25)21-14-9-7-13(20)8-10-14)22-23-24(16)15-6-3-5-12(19)11-15;/h3,5-6,11,13-14H,2,4,7-10,20H2,1H3,(H,21,25);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride has a molecular weight of 398.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119476108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).