1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one

C12H13N5O3 — CID 79355238

IUPAC1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(Cc2ccnc(NN)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-4-12(18)16(7-10(8)17(19)20)6-9-2-3-14-11(5-9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyLUEZDWMABVZPEV-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.79
Rot. Bonds4

About 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one

1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one (PubChem CID 79355238) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
PubChem CID79355238
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(Cc2ccnc(NN)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-4-12(18)16(7-10(8)17(19)20)6-9-2-3-14-11(5-9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyLUEZDWMABVZPEV-UHFFFAOYSA-N
XLogP0.79
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one (CID 79355238) is 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one is Cc1cc(=O)n(Cc2ccnc(NN)c2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The InChIKey is LUEZDWMABVZPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-4-12(18)16(7-10(8)17(19)20)6-9-2-3-14-11(5-9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15).
What are the key properties of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one has a molecular weight of 275.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one is sourced from PubChem (CID 79355238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).