6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione

C12H10N4O3 — CID 123619682

IUPAC6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione
SMILESCCOc1nc2ccccc2c2n[nH]c(=O)c(=O)n12
InChIInChI=1S/C12H10N4O3/c1-2-19-12-13-8-6-4-3-5-7(8)9-14-15-10(17)11(18)16(9)12/h3-6H,2H2,1H3,(H,15,17)
InChIKeyDXCTYJJYRKWPEO-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.33
Rot. Bonds2

About 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione

6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione (PubChem CID 123619682) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione.

Molecular Properties

Compound Name6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione
PubChem CID123619682
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione
SMILESCCOc1nc2ccccc2c2n[nH]c(=O)c(=O)n12
InChIInChI=1S/C12H10N4O3/c1-2-19-12-13-8-6-4-3-5-7(8)9-14-15-10(17)11(18)16(9)12/h3-6H,2H2,1H3,(H,15,17)
InChIKeyDXCTYJJYRKWPEO-UHFFFAOYSA-N
XLogP0.33
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione?
The IUPAC name of 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione (CID 123619682) is 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione.
What is the SMILES notation for 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione?
The canonical SMILES for 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione is CCOc1nc2ccccc2c2n[nH]c(=O)c(=O)n12.
What is the InChIKey of 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione?
The InChIKey is DXCTYJJYRKWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-2-19-12-13-8-6-4-3-5-7(8)9-14-15-10(17)11(18)16(9)12/h3-6H,2H2,1H3,(H,15,17).
What are the key properties of 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione?
6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione has a molecular weight of 258.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2H-[1,2,4]triazino[4,3-c]quinazoline-3,4-dione is sourced from PubChem (CID 123619682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).