8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C11H10N4O3 — CID 132517505

IUPAC8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCOc1cc2ncn3c(=O)[nH]nc3c2cc1OC
InChIInChI=1S/C11H10N4O3/c1-17-8-3-6-7(4-9(8)18-2)12-5-15-10(6)13-14-11(15)16/h3-5H,1-2H3,(H,14,16)
InChIKeyJNOPODFFWYDUBO-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.59
Rot. Bonds2

About 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 132517505) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID132517505
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCOc1cc2ncn3c(=O)[nH]nc3c2cc1OC
InChIInChI=1S/C11H10N4O3/c1-17-8-3-6-7(4-9(8)18-2)12-5-15-10(6)13-14-11(15)16/h3-5H,1-2H3,(H,14,16)
InChIKeyJNOPODFFWYDUBO-UHFFFAOYSA-N
XLogP0.59
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 132517505) is 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is COc1cc2ncn3c(=O)[nH]nc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is JNOPODFFWYDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-17-8-3-6-7(4-9(8)18-2)12-5-15-10(6)13-14-11(15)16/h3-5H,1-2H3,(H,14,16).
What are the key properties of 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 246.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 132517505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).