4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one

C10H12N6O2 — CID 15870858

IUPAC4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccc(O)cc2)c(=O)n1N
InChIInChI=1S/C10H12N6O2/c11-13-10-15-14-8(9(18)16(10)12)5-6-1-3-7(17)4-2-6/h1-4,17H,5,11-12H2,(H,13,15)
InChIKeyKLUNMAOAXDXYHA-UHFFFAOYSA-N
MW248.25 g/mol
LogP-1.07
Rot. Bonds3

About 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one

4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one (PubChem CID 15870858) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one
PubChem CID15870858
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccc(O)cc2)c(=O)n1N
InChIInChI=1S/C10H12N6O2/c11-13-10-15-14-8(9(18)16(10)12)5-6-1-3-7(17)4-2-6/h1-4,17H,5,11-12H2,(H,13,15)
InChIKeyKLUNMAOAXDXYHA-UHFFFAOYSA-N
XLogP-1.07
TPSA132.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one (CID 15870858) is 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one is NNc1nnc(Cc2ccc(O)cc2)c(=O)n1N.
What is the InChIKey of 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one?
The InChIKey is KLUNMAOAXDXYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-13-10-15-14-8(9(18)16(10)12)5-6-1-3-7(17)4-2-6/h1-4,17H,5,11-12H2,(H,13,15).
What are the key properties of 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one?
4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one has a molecular weight of 248.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydrazinyl-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 15870858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).