4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one

C10H12N6O — CID 121215960

IUPAC4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccccc2)c(=O)n1N
InChIInChI=1S/C10H12N6O/c11-13-10-15-14-8(9(17)16(10)12)6-7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,15)
InChIKeyUGVWXIQJLULUTM-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.77
Rot. Bonds3

About 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one

4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one (PubChem CID 121215960) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one
PubChem CID121215960
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccccc2)c(=O)n1N
InChIInChI=1S/C10H12N6O/c11-13-10-15-14-8(9(17)16(10)12)6-7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,15)
InChIKeyUGVWXIQJLULUTM-UHFFFAOYSA-N
XLogP-0.77
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one (CID 121215960) is 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one is NNc1nnc(Cc2ccccc2)c(=O)n1N.
What is the InChIKey of 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one?
The InChIKey is UGVWXIQJLULUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-13-10-15-14-8(9(17)16(10)12)6-7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,15).
What are the key properties of 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one?
4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one has a molecular weight of 232.25 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5-one is sourced from PubChem (CID 121215960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).