N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride

C19H29Cl2N5O — CID 119658792

IUPACN-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)N(C)CCC(N)C(C)C)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H28ClN5O.ClH/c1-5-7-17-18(19(26)24(4)11-10-16(21)13(2)3)22-23-25(17)15-9-6-8-14(20)12-15;/h6,8-9,12-13,16H,5,7,10-11,21H2,1-4H3;1H
InChIKeySOFMNPPZSAVWHH-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.74
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride (PubChem CID 119658792) has the molecular formula C19H29Cl2N5O and a molecular weight of 414.38 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride
PubChem CID119658792
Molecular FormulaC19H29Cl2N5O
Molecular Weight414.38 g/mol
Exact Mass413.17
IUPAC NameN-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)N(C)CCC(N)C(C)C)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H28ClN5O.ClH/c1-5-7-17-18(19(26)24(4)11-10-16(21)13(2)3)22-23-25(17)15-9-6-8-14(20)12-15;/h6,8-9,12-13,16H,5,7,10-11,21H2,1-4H3;1H
InChIKeySOFMNPPZSAVWHH-UHFFFAOYSA-N
XLogP3.74
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119346735
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
1-(3-chlorophenyl)-N-(2-hydroxyethyl)-N,5-dimethyltriazole-4-carboxamide
CID 110900004
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577915
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119754
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
CID 118564531

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride (CID 119658792) is N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride is CCCc1c(C(=O)N(C)CCC(N)C(C)C)nnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride?
The InChIKey is SOFMNPPZSAVWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O.ClH/c1-5-7-17-18(19(26)24(4)11-10-16(21)13(2)3)22-23-25(17)15-9-6-8-14(20)12-15;/h6,8-9,12-13,16H,5,7,10-11,21H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride has a molecular weight of 414.38 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119658792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).