N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide

C12H19N5O — CID 121154889

IUPACN-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C12H19N5O/c18-12(14-10-4-2-1-3-5-10)16-8-11(9-16)17-7-6-13-15-17/h6-7,10-11H,1-5,8-9H2,(H,14,18)
InChIKeyVABYAFDRDAHZSW-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.18
Rot. Bonds2

About N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide

N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 121154889) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID121154889
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C12H19N5O/c18-12(14-10-4-2-1-3-5-10)16-8-11(9-16)17-7-6-13-15-17/h6-7,10-11H,1-5,8-9H2,(H,14,18)
InChIKeyVABYAFDRDAHZSW-UHFFFAOYSA-N
XLogP1.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 91814777
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159553
2-cyclopentylidene-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 136521619
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
CID 128904827
N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide
CID 126857952

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide (CID 121154889) is N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(n2ccnn2)C1.
What is the InChIKey of N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is VABYAFDRDAHZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-12(14-10-4-2-1-3-5-10)16-8-11(9-16)17-7-6-13-15-17/h6-7,10-11H,1-5,8-9H2,(H,14,18).
What are the key properties of N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide?
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121154889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).