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

C13H21N5O — CID 121183847

IUPACN-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H21N5O/c19-13(15-11-5-3-1-2-4-6-11)17-9-12(10-17)18-8-7-14-16-18/h7-8,11-12H,1-6,9-10H2,(H,15,19)
InChIKeyRTSLXHFEJWNGNJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds2

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

N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 121183847) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID121183847
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H21N5O/c19-13(15-11-5-3-1-2-4-6-11)17-9-12(10-17)18-8-7-14-16-18/h7-8,11-12H,1-6,9-10H2,(H,15,19)
InChIKeyRTSLXHFEJWNGNJ-UHFFFAOYSA-N
XLogP1.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
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-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide (CID 121183847) is N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide is O=C(NC1CCCCCC1)N1CC(n2ccnn2)C1.
What is the InChIKey of N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is RTSLXHFEJWNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(15-11-5-3-1-2-4-6-11)17-9-12(10-17)18-8-7-14-16-18/h7-8,11-12H,1-6,9-10H2,(H,15,19).
What are the key properties of N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide?
N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121183847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).