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

C10H8N4O2 — CID 135823900

IUPAC2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(CO)nn12
InChIInChI=1S/C10H8N4O2/c15-5-8-12-9-6-3-1-2-4-7(6)11-10(16)14(9)13-8/h1-4,15H,5H2,(H,11,16)
InChIKeyUEYCUZXLBXHUKR-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.06
Rot. Bonds1

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

2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135823900) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135823900
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(CO)nn12
InChIInChI=1S/C10H8N4O2/c15-5-8-12-9-6-3-1-2-4-7(6)11-10(16)14(9)13-8/h1-4,15H,5H2,(H,11,16)
InChIKeyUEYCUZXLBXHUKR-UHFFFAOYSA-N
XLogP0.06
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135823900) is 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(CO)nn12.
What is the InChIKey of 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is UEYCUZXLBXHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-5-8-12-9-6-3-1-2-4-7(6)11-10(16)14(9)13-8/h1-4,15H,5H2,(H,11,16).
What are the key properties of 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 216.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135823900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).