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

C12H12N4O3 — CID 135823858

IUPAC9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCCOc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1
InChIInChI=1S/C12H12N4O3/c1-2-19-7-3-4-9-8(5-7)11-14-10(6-17)15-16(11)12(18)13-9/h3-5,17H,2,6H2,1H3,(H,13,18)
InChIKeyCZYLKLQDQHHQKL-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.46
Rot. Bonds3

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

9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135823858) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135823858
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCCOc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1
InChIInChI=1S/C12H12N4O3/c1-2-19-7-3-4-9-8(5-7)11-14-10(6-17)15-16(11)12(18)13-9/h3-5,17H,2,6H2,1H3,(H,13,18)
InChIKeyCZYLKLQDQHHQKL-UHFFFAOYSA-N
XLogP0.46
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135823858) is 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is CCOc1ccc2[nH]c(=O)n3nc(CO)nc3c2c1.
What is the InChIKey of 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is CZYLKLQDQHHQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-19-7-3-4-9-8(5-7)11-14-10(6-17)15-16(11)12(18)13-9/h3-5,17H,2,6H2,1H3,(H,13,18).
What are the key properties of 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 260.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135823858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).