N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

C11H18N4O — CID 2914181

IUPACN-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCCC(NC(=O)c2ncn[nH]2)C1C
InChIInChI=1S/C11H18N4O/c1-7-4-3-5-9(8(7)2)14-11(16)10-12-6-13-15-10/h6-9H,3-5H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyPAIFKWRDWYOKLS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2914181) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID2914181
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCCC(NC(=O)c2ncn[nH]2)C1C
InChIInChI=1S/C11H18N4O/c1-7-4-3-5-9(8(7)2)14-11(16)10-12-6-13-15-10/h6-9H,3-5H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyPAIFKWRDWYOKLS-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
2-(3-cyano-1H-1,2,4-triazol-1-yl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]acetamide
CID 128158063
2-(3-cyano-1,2,4-triazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 45803455
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
CID 136548229
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
1H-[1,2,4]Triazole-3-carboxylic acid (2,2,6,6-tetramethylpiperidin-4-yl)amide
CID 707222
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 2914181) is N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is CC1CCCC(NC(=O)c2ncn[nH]2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PAIFKWRDWYOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-4-3-5-9(8(7)2)14-11(16)10-12-6-13-15-10/h6-9H,3-5H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2914181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).