N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide

C11H18N4O — CID 112733318

IUPACN-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-9(6-4-8)13-11(16)10-7-12-15-14-10/h7-9H,2-6H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyHQZOIONZSAXRJT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.50
Rot. Bonds3

About N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide

N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide (PubChem CID 112733318) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
PubChem CID112733318
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-9(6-4-8)13-11(16)10-7-12-15-14-10/h7-9H,2-6H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyHQZOIONZSAXRJT-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
CID 113381877
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 131036378
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide (CID 112733318) is N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide is CCC1CCC(NC(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide?
The InChIKey is HQZOIONZSAXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-8-3-5-9(6-4-8)13-11(16)10-7-12-15-14-10/h7-9H,2-6H2,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide?
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).