1-methyl-6-oxopyridine-3-carbohydrazide

C7H9N3O2 — CID 784989

IUPAC1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NN)ccc1=O
InChIInChI=1S/C7H9N3O2/c1-10-4-5(7(12)9-8)2-3-6(10)11/h2-4H,8H2,1H3,(H,9,12)
InChIKeyWCGPQGBPGIDIKC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.01
Rot. Bonds1

About 1-methyl-6-oxopyridine-3-carbohydrazide

1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 784989) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID784989
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NN)ccc1=O
InChIInChI=1S/C7H9N3O2/c1-10-4-5(7(12)9-8)2-3-6(10)11/h2-4H,8H2,1H3,(H,9,12)
InChIKeyWCGPQGBPGIDIKC-UHFFFAOYSA-N
XLogP-1.01
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-methyl-6-oxopyridine-3-carbohydrazide (CID 784989) is 1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NN)ccc1=O.
What is the InChIKey of 1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is WCGPQGBPGIDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10-4-5(7(12)9-8)2-3-6(10)11/h2-4H,8H2,1H3,(H,9,12).
What are the key properties of 1-methyl-6-oxopyridine-3-carbohydrazide?
1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 167.17 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 784989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).