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

C4H8N6O — CID 4310513

IUPAC4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(NN)n(N)c1=O
InChIInChI=1S/C4H8N6O/c1-2-3(11)10(6)4(7-5)9-8-2/h5-6H2,1H3,(H,7,9)
InChIKeyKFFPBWZQPPESLP-UHFFFAOYSA-N
MW156.15 g/mol
LogP-2.05
Rot. Bonds1

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

4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one (PubChem CID 4310513) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one
PubChem CID4310513
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(NN)n(N)c1=O
InChIInChI=1S/C4H8N6O/c1-2-3(11)10(6)4(7-5)9-8-2/h5-6H2,1H3,(H,7,9)
InChIKeyKFFPBWZQPPESLP-UHFFFAOYSA-N
XLogP-2.05
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-2.05
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-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one (CID 4310513) is 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one is Cc1nnc(NN)n(N)c1=O.
What is the InChIKey of 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one?
The InChIKey is KFFPBWZQPPESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c1-2-3(11)10(6)4(7-5)9-8-2/h5-6H2,1H3,(H,7,9).
What are the key properties of 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one?
4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one has a molecular weight of 156.15 g/mol, XLogP of -2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 4310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).