2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H13N7O — CID 135882047

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1cc(C)nc(Nc2nc3c4ccccc4[nH]c(=O)n3n2)n1
InChIInChI=1S/C15H13N7O/c1-8-7-9(2)17-13(16-8)20-14-19-12-10-5-3-4-6-11(10)18-15(23)22(12)21-14/h3-7H,1-2H3,(H,18,23)(H,16,17,20,21)
InChIKeyHRXFGLNJBGRLLH-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.72
Rot. Bonds2

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135882047) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135882047
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1cc(C)nc(Nc2nc3c4ccccc4[nH]c(=O)n3n2)n1
InChIInChI=1S/C15H13N7O/c1-8-7-9(2)17-13(16-8)20-14-19-12-10-5-3-4-6-11(10)18-15(23)22(12)21-14/h3-7H,1-2H3,(H,18,23)(H,16,17,20,21)
InChIKeyHRXFGLNJBGRLLH-UHFFFAOYSA-N
XLogP1.72
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-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 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135882047) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is Cc1cc(C)nc(Nc2nc3c4ccccc4[nH]c(=O)n3n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is HRXFGLNJBGRLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-8-7-9(2)17-13(16-8)20-14-19-12-10-5-3-4-6-11(10)18-15(23)22(12)21-14/h3-7H,1-2H3,(H,18,23)(H,16,17,20,21).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 307.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135882047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).