2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one

C8H13N3O — CID 127239984

IUPAC2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CNN)c(C)c1=O
InChIInChI=1S/C8H13N3O/c1-5-3-10-7(4-11-9)6(2)8(5)12/h3,11H,4,9H2,1-2H3,(H,10,12)
InChIKeyLHRRCDWFJATGLX-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.04
Rot. Bonds2

About 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one

2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 127239984) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one
PubChem CID127239984
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CNN)c(C)c1=O
InChIInChI=1S/C8H13N3O/c1-5-3-10-7(4-11-9)6(2)8(5)12/h3,11H,4,9H2,1-2H3,(H,10,12)
InChIKeyLHRRCDWFJATGLX-UHFFFAOYSA-N
XLogP-0.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one (CID 127239984) is 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CNN)c(C)c1=O.
What is the InChIKey of 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is LHRRCDWFJATGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-10-7(4-11-9)6(2)8(5)12/h3,11H,4,9H2,1-2H3,(H,10,12).
What are the key properties of 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one?
2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 127239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).