N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

C12H21N5O2 — CID 14404865

IUPACN-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C12H21N5O2/c1-15(2)10-14-17(12(19)16(10)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyQIBNTZBSJOFSAY-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.54
Rot. Bonds2

About N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 14404865) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID14404865
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C12H21N5O2/c1-15(2)10-14-17(12(19)16(10)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyQIBNTZBSJOFSAY-UHFFFAOYSA-N
XLogP0.54
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 14404865) is N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is CN(C)c1nn(C(=O)NC2CCCCC2)c(=O)n1C.
What is the InChIKey of N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is QIBNTZBSJOFSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-15(2)10-14-17(12(19)16(10)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18).
What are the key properties of N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14404865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).