N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide

C16H24N6O — CID 91835976

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2nncn2C2CCCCC2)c1C
InChIInChI=1S/C16H24N6O/c1-12-13(2)21(10-18-12)9-16(23)17-8-15-20-19-11-22(15)14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,17,23)
InChIKeyOOXPWXMBCPSHIP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.91
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 91835976) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID91835976
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2nncn2C2CCCCC2)c1C
InChIInChI=1S/C16H24N6O/c1-12-13(2)21(10-18-12)9-16(23)17-8-15-20-19-11-22(15)14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,17,23)
InChIKeyOOXPWXMBCPSHIP-UHFFFAOYSA-N
XLogP1.91
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 91835976) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)NCc2nncn2C2CCCCC2)c1C.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is OOXPWXMBCPSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-13(2)21(10-18-12)9-16(23)17-8-15-20-19-11-22(15)14-6-4-3-5-7-14/h10-11,14H,3-9H2,1-2H3,(H,17,23).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 91835976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).