N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide

C12H20N4O — CID 42890986

IUPACN-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cncn2)C1C
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-11(10(9)2)15-12(17)6-16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17)
InChIKeyGEOCMOYINXASEF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.22
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 42890986) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID42890986
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2cncn2)C1C
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-11(10(9)2)15-12(17)6-16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17)
InChIKeyGEOCMOYINXASEF-UHFFFAOYSA-N
XLogP1.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 42890986) is N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide is CC1CCCC(NC(=O)Cn2cncn2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is GEOCMOYINXASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-4-3-5-11(10(9)2)15-12(17)6-16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 42890986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).