2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C10H8N4O — CID 135463200

IUPAC2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1nc2c3ccccc3[nH]c(=O)n2n1
InChIInChI=1S/C10H8N4O/c1-6-11-9-7-4-2-3-5-8(7)12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15)
InChIKeyPDPQZGXLYBPJGK-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.88
Rot. Bonds

About 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135463200) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135463200
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1nc2c3ccccc3[nH]c(=O)n2n1
InChIInChI=1S/C10H8N4O/c1-6-11-9-7-4-2-3-5-8(7)12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15)
InChIKeyPDPQZGXLYBPJGK-UHFFFAOYSA-N
XLogP0.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135463200) is 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is Cc1nc2c3ccccc3[nH]c(=O)n2n1.
What is the InChIKey of 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is PDPQZGXLYBPJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-11-9-7-4-2-3-5-8(7)12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15).
What are the key properties of 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 200.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135463200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).