5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H20N4O2 — CID 167791839

IUPAC5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(Cn2c(OC)nc3nc(CC)cc(=O)n32)cc1
InChIInChI=1S/C17H20N4O2/c1-4-12-6-8-13(9-7-12)11-20-17(23-3)19-16-18-14(5-2)10-15(22)21(16)20/h6-10H,4-5,11H2,1-3H3
InChIKeyBAYAKILBSBDOPE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.07
Rot. Bonds5

About 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 167791839) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID167791839
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(Cn2c(OC)nc3nc(CC)cc(=O)n32)cc1
InChIInChI=1S/C17H20N4O2/c1-4-12-6-8-13(9-7-12)11-20-17(23-3)19-16-18-14(5-2)10-15(22)21(16)20/h6-10H,4-5,11H2,1-3H3
InChIKeyBAYAKILBSBDOPE-UHFFFAOYSA-N
XLogP2.07
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 167791839) is 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1ccc(Cn2c(OC)nc3nc(CC)cc(=O)n32)cc1.
What is the InChIKey of 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BAYAKILBSBDOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-12-6-8-13(9-7-12)11-20-17(23-3)19-16-18-14(5-2)10-15(22)21(16)20/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 312.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-ethylphenyl)methyl]-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167791839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).