5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C13H22N4O — CID 114095110

IUPAC5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(C)CCCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-3-10-15-11(17-16-10)12(18)14-9-13(2)7-5-4-6-8-13/h3-9H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJNOUKWLBSBFISR-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds4

About 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114095110) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID114095110
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(C)CCCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-3-10-15-11(17-16-10)12(18)14-9-13(2)7-5-4-6-8-13/h3-9H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJNOUKWLBSBFISR-UHFFFAOYSA-N
XLogP2.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-methyl-3-(piperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide hydrochloride
CID 132308932
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexanecarboxamide
CID 50980478
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
3-amino-N-((1r,4r)-4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792684
N-((1r,4r)-4-aminocyclohexyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 80372704
N-((1r,4r)-4-aminocyclohexyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 80372864
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-5-ethyl-4H-1,2,4-triazole-3-carboxamide
CID 132228239
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-3-carboxamide
CID 80383154
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-3-carboxamide
CID 80383162

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 114095110) is 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC2(C)CCCCC2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JNOUKWLBSBFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-15-11(17-16-10)12(18)14-9-13(2)7-5-4-6-8-13/h3-9H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114095110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).