1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide

C17H28N4O2 — CID 45209096

IUPAC1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C17H28N4O2/c22-17(18-11-10-15-9-5-6-12-23-15)16-13-21(20-19-16)14-7-3-1-2-4-8-14/h13-15H,1-12H2,(H,18,22)
InChIKeyHRZRGMVMTAXRFR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.86
Rot. Bonds5

About 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide

1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 45209096) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide
PubChem CID45209096
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C17H28N4O2/c22-17(18-11-10-15-9-5-6-12-23-15)16-13-21(20-19-16)14-7-3-1-2-4-8-14/h13-15H,1-12H2,(H,18,22)
InChIKeyHRZRGMVMTAXRFR-UHFFFAOYSA-N
XLogP2.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
CID 45210939
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106000656
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
1-tert-butyl-N-(oxan-2-ylmethyl)triazole-4-carboxamide
CID 139007712
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide (CID 45209096) is 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide is O=C(NCCC1CCCCO1)c1cn(C2CCCCCC2)nn1.
What is the InChIKey of 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is HRZRGMVMTAXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-17(18-11-10-15-9-5-6-12-23-15)16-13-21(20-19-16)14-7-3-1-2-4-8-14/h13-15H,1-12H2,(H,18,22).
What are the key properties of 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide?
1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 45209096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).