1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide

C14H22N8O — CID 70709218

IUPAC1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C
InChIInChI=1S/C14H22N8O/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,23)
InChIKeyUHVNPBSFNSHISH-UHFFFAOYSA-N
MW318.39 g/mol
LogP0.34
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 70709218) has the molecular formula C14H22N8O and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID70709218
Molecular FormulaC14H22N8O
Molecular Weight318.39 g/mol
Exact Mass318.19
IUPAC Name1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C
InChIInChI=1S/C14H22N8O/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,23)
InChIKeyUHVNPBSFNSHISH-UHFFFAOYSA-N
XLogP0.34
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56904759
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70711368
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70719235
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
1-(2-aminoethyl)-N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70733623
1-(cis-4-aminocyclohexyl)-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70738966
cis-4-[4-({4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}carbonyl)-1H-1,2,3-triazol-1-yl]cyclohexanamine
CID 70746051
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide (CID 70709218) is 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide is CC(NC(=O)c1cn(C2CCC(N)CC2)nn1)c1ncnn1C.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is UHVNPBSFNSHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O/c1-9(13-16-8-17-21(13)2)18-14(23)12-7-22(20-19-12)11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,23).
What are the key properties of 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70709218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).