6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

C10H10N6O — CID 135412050

IUPAC6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-6H,1H3,(H2,13,15,16,17)/b12-6+
InChIKeyVBSLAWZEMACWRT-WUXMJOGZSA-N
MW230.23 g/mol
LogP0.31
Rot. Bonds3

About 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412050) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412050
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-6H,1H3,(H2,13,15,16,17)/b12-6+
InChIKeyVBSLAWZEMACWRT-WUXMJOGZSA-N
XLogP0.31
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412050) is 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2ccccn2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is VBSLAWZEMACWRT-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-6H,1H3,(H2,13,15,16,17)/b12-6+.
What are the key properties of 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 230.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).