3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid

C12H10N4O3 — CID 51107858

IUPAC3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
SMILESCc1nn2c(nc1=O)-c1ccccc1NC2C(=O)O
InChIInChI=1S/C12H10N4O3/c1-6-11(17)14-9-7-4-2-3-5-8(7)13-10(12(18)19)16(9)15-6/h2-5,10,13H,1H3,(H,18,19)
InChIKeyLBBNAYIRMQYQLO-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.62
Rot. Bonds1

About 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid

3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid (PubChem CID 51107858) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
PubChem CID51107858
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
SMILESCc1nn2c(nc1=O)-c1ccccc1NC2C(=O)O
InChIInChI=1S/C12H10N4O3/c1-6-11(17)14-9-7-4-2-3-5-8(7)13-10(12(18)19)16(9)15-6/h2-5,10,13H,1H3,(H,18,19)
InChIKeyLBBNAYIRMQYQLO-UHFFFAOYSA-N
XLogP0.62
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid (CID 51107858) is 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid is Cc1nn2c(nc1=O)-c1ccccc1NC2C(=O)O.
What is the InChIKey of 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?
The InChIKey is LBBNAYIRMQYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-6-11(17)14-9-7-4-2-3-5-8(7)13-10(12(18)19)16(9)15-6/h2-5,10,13H,1H3,(H,18,19).
What are the key properties of 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?
3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid is sourced from PubChem (CID 51107858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).