N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide

C12H20N4O — CID 42947733

IUPACN-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCC(NC(=O)C(C)n2cncn2)CC1
InChIInChI=1S/C12H20N4O/c1-9-3-5-11(6-4-9)15-12(17)10(2)16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17)
InChIKeyDLECMMCTIAFAMQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.53
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42947733) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42947733
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCC(NC(=O)C(C)n2cncn2)CC1
InChIInChI=1S/C12H20N4O/c1-9-3-5-11(6-4-9)15-12(17)10(2)16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17)
InChIKeyDLECMMCTIAFAMQ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 42947733) is N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide is CC1CCC(NC(=O)C(C)n2cncn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DLECMMCTIAFAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-5-11(6-4-9)15-12(17)10(2)16-8-13-7-14-16/h7-11H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42947733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).