4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one

C15H14N4O — CID 155806531

IUPAC4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one
SMILESCCCc1cc(=O)nc2nncc(-c3ccccc3)n12
InChIInChI=1S/C15H14N4O/c1-2-6-12-9-14(20)17-15-18-16-10-13(19(12)15)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyMDVOYQSEXKKYRG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.10
Rot. Bonds3

About 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one

4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one (PubChem CID 155806531) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one.

Molecular Properties

Compound Name4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one
PubChem CID155806531
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one
SMILESCCCc1cc(=O)nc2nncc(-c3ccccc3)n12
InChIInChI=1S/C15H14N4O/c1-2-6-12-9-14(20)17-15-18-16-10-13(19(12)15)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyMDVOYQSEXKKYRG-UHFFFAOYSA-N
XLogP2.10
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-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 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one?
The IUPAC name of 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one (CID 155806531) is 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one.
What is the SMILES notation for 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one?
The canonical SMILES for 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one is CCCc1cc(=O)nc2nncc(-c3ccccc3)n12.
What is the InChIKey of 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one?
The InChIKey is MDVOYQSEXKKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-6-12-9-14(20)17-15-18-16-10-13(19(12)15)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one?
4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one has a molecular weight of 266.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one is sourced from PubChem (CID 155806531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).