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

C4H7N5O — CID 135408845

IUPAC3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN)[nH]c1=O
InChIInChI=1S/C4H7N5O/c1-2-3(10)6-4(7-5)9-8-2/h5H2,1H3,(H2,6,7,9,10)
InChIKeyHPMIPGOOYMVAPL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.24
Rot. Bonds1

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

3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135408845) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135408845
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN)[nH]c1=O
InChIInChI=1S/C4H7N5O/c1-2-3(10)6-4(7-5)9-8-2/h5H2,1H3,(H2,6,7,9,10)
InChIKeyHPMIPGOOYMVAPL-UHFFFAOYSA-N
XLogP-1.24
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one (CID 135408845) is 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NN)[nH]c1=O.
What is the InChIKey of 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is HPMIPGOOYMVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-2-3(10)6-4(7-5)9-8-2/h5H2,1H3,(H2,6,7,9,10).
What are the key properties of 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one?
3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 141.13 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135408845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).