1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one

C12H14N4O — CID 63172479

IUPAC1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2cccnc2NN)c1=O
InChIInChI=1S/C12H14N4O/c1-9-4-3-7-16(12(9)17)8-10-5-2-6-14-11(10)15-13/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyFFMMVQKXTKEBNX-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.89
Rot. Bonds3

About 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one

1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one (PubChem CID 63172479) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
PubChem CID63172479
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2cccnc2NN)c1=O
InChIInChI=1S/C12H14N4O/c1-9-4-3-7-16(12(9)17)8-10-5-2-6-14-11(10)15-13/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyFFMMVQKXTKEBNX-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
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 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one (CID 63172479) is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2cccnc2NN)c1=O.
What is the InChIKey of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one?
The InChIKey is FFMMVQKXTKEBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-4-3-7-16(12(9)17)8-10-5-2-6-14-11(10)15-13/h2-7H,8,13H2,1H3,(H,14,15).
What are the key properties of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one?
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).