2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C11H10N4O3 — CID 135823893

IUPAC2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1
InChIInChI=1S/C11H10N4O3/c1-18-6-2-3-8-7(4-6)10-13-9(5-16)14-15(10)11(17)12-8/h2-4,16H,5H2,1H3,(H,12,17)
InChIKeyLYELOMLNXKBAKG-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.07
Rot. Bonds2

About 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135823893) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135823893
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1
InChIInChI=1S/C11H10N4O3/c1-18-6-2-3-8-7(4-6)10-13-9(5-16)14-15(10)11(17)12-8/h2-4,16H,5H2,1H3,(H,12,17)
InChIKeyLYELOMLNXKBAKG-UHFFFAOYSA-N
XLogP0.07
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135823893) is 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1.
What is the InChIKey of 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is LYELOMLNXKBAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-18-6-2-3-8-7(4-6)10-13-9(5-16)14-15(10)11(17)12-8/h2-4,16H,5H2,1H3,(H,12,17).
What are the key properties of 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 246.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135823893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).