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

C10H8N4O3 — CID 135823880

IUPAC9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2nc(CO)nn12
InChIInChI=1S/C10H8N4O3/c15-4-8-12-9-6-3-5(16)1-2-7(6)11-10(17)14(9)13-8/h1-3,15-16H,4H2,(H,11,17)
InChIKeyMABLJCHXSGAAKD-UHFFFAOYSA-N
MW232.20 g/mol
LogP-0.23
Rot. Bonds1

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

9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135823880) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135823880
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2nc(CO)nn12
InChIInChI=1S/C10H8N4O3/c15-4-8-12-9-6-3-5(16)1-2-7(6)11-10(17)14(9)13-8/h1-3,15-16H,4H2,(H,11,17)
InChIKeyMABLJCHXSGAAKD-UHFFFAOYSA-N
XLogP-0.23
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135823900
9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 164624110
2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135976804
2-(2-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136092326
2-methyl-9-(trifluoromethoxy)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136146118
2-(4-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074274
8-fluoro-2-(3-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074530
9-fluoro-2-(3-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074677
10-fluoro-2-(3-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074697
2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156637169
9-butoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135666821
8-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135823852

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135823880) is 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(O)cc2c2nc(CO)nn12.
What is the InChIKey of 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is MABLJCHXSGAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-4-8-12-9-6-3-5(16)1-2-7(6)11-10(17)14(9)13-8/h1-3,15-16H,4H2,(H,11,17).
What are the key properties of 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 232.20 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135823880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).