3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one

C11H8N4O — CID 2543134

IUPAC3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one
SMILESCc1nnc2c3ccccc3ncn2c1=O
InChIInChI=1S/C11H8N4O/c1-7-11(16)15-6-12-9-5-3-2-4-8(9)10(15)14-13-7/h2-6H,1H3
InChIKeyFVUDRIGSNNBYMX-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.95
Rot. Bonds

About 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one

3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one (PubChem CID 2543134) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one
PubChem CID2543134
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one
SMILESCc1nnc2c3ccccc3ncn2c1=O
InChIInChI=1S/C11H8N4O/c1-7-11(16)15-6-12-9-5-3-2-4-8(9)10(15)14-13-7/h2-6H,1H3
InChIKeyFVUDRIGSNNBYMX-UHFFFAOYSA-N
XLogP0.95
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one?
The IUPAC name of 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one (CID 2543134) is 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one.
What is the SMILES notation for 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one?
The canonical SMILES for 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one is Cc1nnc2c3ccccc3ncn2c1=O.
What is the InChIKey of 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one?
The InChIKey is FVUDRIGSNNBYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c1-7-11(16)15-6-12-9-5-3-2-4-8(9)10(15)14-13-7/h2-6H,1H3.
What are the key properties of 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one?
3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one has a molecular weight of 212.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2,4]triazino[4,3-c]quinazolin-4-one is sourced from PubChem (CID 2543134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).