2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one

C19H28N4O4 — CID 177379139

IUPAC2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCOCC1CCC(Oc2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1
InChIInChI=1S/C19H28N4O4/c1-22-18(24)16-11-20-17(14-7-9-26-10-8-14)23(16)21-19(22)27-15-5-3-13(4-6-15)12-25-2/h11,13-15H,3-10,12H2,1-2H3
InChIKeyKERRPWCSVWFGAU-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one

2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 177379139) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID177379139
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCOCC1CCC(Oc2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1
InChIInChI=1S/C19H28N4O4/c1-22-18(24)16-11-20-17(14-7-9-26-10-8-14)23(16)21-19(22)27-15-5-3-13(4-6-15)12-25-2/h11,13-15H,3-10,12H2,1-2H3
InChIKeyKERRPWCSVWFGAU-UHFFFAOYSA-N
XLogP1.91
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-7-(oxan-4-yl)-2-[[4-(trifluoromethyl)cyclohexyl]methoxy]imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540493
US10858362, Example 4
CID 122652213
US10858362, Example 66--trans
CID 122652228
US10858362, Example 67
CID 122652247
US10858362, Example 11
CID 122652369
12,12-Difluoro-10-(2-methylpropyl)-6-(oxan-4-yl)-1,5,7,8,10-pentazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 118973342
12,12-Difluoro-10-(3-methylbutyl)-6-(oxan-4-yl)-1,5,7,8,10-pentazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 118973344
12-Methyl-6-(oxan-4-yl)-10-(4,4,4-trifluorobutyl)-1,5,7,8,10-pentazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 118973347
2-(4,4-Difluorocyclohexyl)oxy-3-ethyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540298
7-(4-Hydroxyoxan-4-yl)-3-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methoxy]imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540331
2-Chloro-3-[(4,4-difluorocyclohexyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540405
2-[(4,4-Difluorocyclohexyl)methoxy]-3-ethyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one (CID 177379139) is 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one is COCC1CCC(Oc2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is KERRPWCSVWFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-22-18(24)16-11-20-17(14-7-9-26-10-8-14)23(16)21-19(22)27-15-5-3-13(4-6-15)12-25-2/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 376.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 177379139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).