1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide

C17H23N5O2 — CID 119319187

IUPAC1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3(N)CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-13-7-5-12(6-8-13)15-20-14(21-22-15)11-19-16(23)17(18)9-3-2-4-10-17/h5-8H,2-4,9-11,18H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyASELHHDKRPIHML-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds5

About 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 119319187) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
PubChem CID119319187
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3(N)CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-13-7-5-12(6-8-13)15-20-14(21-22-15)11-19-16(23)17(18)9-3-2-4-10-17/h5-8H,2-4,9-11,18H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyASELHHDKRPIHML-UHFFFAOYSA-N
XLogP1.76
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 56524254
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide;hydrochloride
CID 119319166
1-[[[N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571123
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,3-dimethylbutanamide
CID 119776074
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
7-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]heptanamide;hydrochloride
CID 119776049
3-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119776062
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 56524003

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide (CID 119319187) is 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)C3(N)CCCCC3)n2)cc1.
What is the InChIKey of 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ASELHHDKRPIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-13-7-5-12(6-8-13)15-20-14(21-22-15)11-19-16(23)17(18)9-3-2-4-10-17/h5-8H,2-4,9-11,18H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119319187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).