6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one

C9H8N4O2 — CID 166643418

IUPAC6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one
SMILESNc1nnc(-c2ccccc2O)[nH]c1=O
InChIInChI=1S/C9H8N4O2/c10-7-9(15)11-8(13-12-7)5-3-1-2-4-6(5)14/h1-4,14H,(H2,10,12)(H,11,13,15)
InChIKeySAURYMOOUSZFPY-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.12
Rot. Bonds1

About 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one

6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one (PubChem CID 166643418) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one
PubChem CID166643418
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one
SMILESNc1nnc(-c2ccccc2O)[nH]c1=O
InChIInChI=1S/C9H8N4O2/c10-7-9(15)11-8(13-12-7)5-3-1-2-4-6(5)14/h1-4,14H,(H2,10,12)(H,11,13,15)
InChIKeySAURYMOOUSZFPY-UHFFFAOYSA-N
XLogP0.12
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one (CID 166643418) is 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one is Nc1nnc(-c2ccccc2O)[nH]c1=O.
What is the InChIKey of 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one?
The InChIKey is SAURYMOOUSZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-7-9(15)11-8(13-12-7)5-3-1-2-4-6(5)14/h1-4,14H,(H2,10,12)(H,11,13,15).
What are the key properties of 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one?
6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one has a molecular weight of 204.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-hydroxyphenyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 166643418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).