N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide

C11H18N4O — CID 112733346

IUPACN-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(6-8)15(2)11(16)10-7-12-14-13-10/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyRXGPNHACISRFJT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds2

About N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide

N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide (PubChem CID 112733346) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
PubChem CID112733346
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(6-8)15(2)11(16)10-7-12-14-13-10/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyRXGPNHACISRFJT-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103612541
5-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyrazine-2-carboxamide
CID 107374833
6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide
CID 54949412
4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 62080734
3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 115645768
4-amino-N,1-dimethyl-N-(3-methylcyclohexyl)pyrazole-5-carboxamide
CID 65359890
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 78968404
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-N-methyl-6-(methylamino)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179291

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide (CID 112733346) is N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide is CC1CCCC(N(C)C(=O)c2cn[nH]n2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide?
The InChIKey is RXGPNHACISRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-3-5-9(6-8)15(2)11(16)10-7-12-14-13-10/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide?
N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).