N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

C18H27N5O2 — CID 20885680

IUPACN-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCCC(C)C2C)c(=O)c2nccn12
InChIInChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24)
InChIKeyRJIPDKGKYPCYNI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.92
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (PubChem CID 20885680) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
PubChem CID20885680
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCCC(C)C2C)c(=O)c2nccn12
InChIInChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24)
InChIKeyRJIPDKGKYPCYNI-UHFFFAOYSA-N
XLogP1.92
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (CID 20885680) is N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is Cc1nn(CCCC(=O)NC2CCCC(C)C2C)c(=O)c2nccn12.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The InChIKey is RJIPDKGKYPCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide has a molecular weight of 345.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is sourced from PubChem (CID 20885680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).