6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C15H16N4O2 — CID 672861

IUPAC6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCCc1c(C)nc2[nH]nc(-c3ccccc3OC)n2c1=O
InChIInChI=1S/C15H16N4O2/c1-4-10-9(2)16-15-18-17-13(19(15)14(10)20)11-7-5-6-8-12(11)21-3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyUUTUIIBWYGFEDU-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.96
Rot. Bonds3

About 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 672861) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID672861
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCCc1c(C)nc2[nH]nc(-c3ccccc3OC)n2c1=O
InChIInChI=1S/C15H16N4O2/c1-4-10-9(2)16-15-18-17-13(19(15)14(10)20)11-7-5-6-8-12(11)21-3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyUUTUIIBWYGFEDU-UHFFFAOYSA-N
XLogP1.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 672861) is 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is CCc1c(C)nc2[nH]nc(-c3ccccc3OC)n2c1=O.
What is the InChIKey of 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is UUTUIIBWYGFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-10-9(2)16-15-18-17-13(19(15)14(10)20)11-7-5-6-8-12(11)21-3/h5-8H,4H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 284.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methoxyphenyl)-7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 672861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).