1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide

C14H21N7O2S — CID 70779692

IUPAC1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
SMILESCSCc1noc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)n1
InChIInChI=1S/C14H21N7O2S/c1-24-8-12-17-13(23-19-12)6-16-14(22)11-7-21(20-18-11)10-4-2-9(15)3-5-10/h7,9-10H,2-6,8,15H2,1H3,(H,16,22)
InChIKeyLNICRNFGOCONRS-UHFFFAOYSA-N
MW351.44 g/mol
LogP0.90
Rot. Bonds6

About 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide (PubChem CID 70779692) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
PubChem CID70779692
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
SMILESCSCc1noc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)n1
InChIInChI=1S/C14H21N7O2S/c1-24-8-12-17-13(23-19-12)6-16-14(22)11-7-21(20-18-11)10-4-2-9(15)3-5-10/h7,9-10H,2-6,8,15H2,1H3,(H,16,22)
InChIKeyLNICRNFGOCONRS-UHFFFAOYSA-N
XLogP0.90
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide 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

1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
1-(4-aminocyclohexyl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70788678
1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 98370670
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332
5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 91796432
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
1-(4-aminocyclohexyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70786329
1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 154917173
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
1-(4-aminocyclohexyl)-N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide
CID 98313560

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide (CID 70779692) is 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide is CSCc1noc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)n1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is LNICRNFGOCONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-24-8-12-17-13(23-19-12)6-16-14(22)11-7-21(20-18-11)10-4-2-9(15)3-5-10/h7,9-10H,2-6,8,15H2,1H3,(H,16,22).
What are the key properties of 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 70779692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).