8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

C19H22N4O2 — CID 135723513

IUPAC8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCOc1ccccc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24)
InChIKeyJNCDDLGHNVKJQJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds4

About 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135723513) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID135723513
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCOc1ccccc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24)
InChIKeyJNCDDLGHNVKJQJ-UHFFFAOYSA-N
XLogP3.45
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (CID 135723513) is 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is CCOc1ccccc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1.
What is the InChIKey of 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is JNCDDLGHNVKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 338.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135723513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).