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

C17H25N7O2 — CID 70777138

IUPAC1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NCCc3noc(C4CCC4)n3)nn2)CC1
InChIInChI=1S/C17H25N7O2/c18-12-4-6-13(7-5-12)24-10-14(21-23-24)16(25)19-9-8-15-20-17(26-22-15)11-2-1-3-11/h10-13H,1-9,18H2,(H,19,25)
InChIKeyOBXVSSNXCIPTRF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.34
Rot. Bonds6

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

1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 70777138) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID70777138
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NCCc3noc(C4CCC4)n3)nn2)CC1
InChIInChI=1S/C17H25N7O2/c18-12-4-6-13(7-5-12)24-10-14(21-23-24)16(25)19-9-8-15-20-17(26-22-15)11-2-1-3-11/h10-13H,1-9,18H2,(H,19,25)
InChIKeyOBXVSSNXCIPTRF-UHFFFAOYSA-N
XLogP1.34
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70748111
1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
CID 70779692
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
CID 118785087
1-(4-aminocyclohexyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154894907
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332
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-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70788678
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 77086255
1-(4-aminocyclohexyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]triazole-4-carboxamide;formic acid
CID 154911676

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (CID 70777138) is 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is NC1CCC(n2cc(C(=O)NCCc3noc(C4CCC4)n3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is OBXVSSNXCIPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c18-12-4-6-13(7-5-12)24-10-14(21-23-24)16(25)19-9-8-15-20-17(26-22-15)11-2-1-3-11/h10-13H,1-9,18H2,(H,19,25).
What are the key properties of 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70777138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).