1-methyl-6-oxopyridazine-4-carbohydrazide

C6H8N4O2 — CID 59212609

IUPAC1-methyl-6-oxopyridazine-4-carbohydrazide
SMILESCn1ncc(C(=O)NN)cc1=O
InChIInChI=1S/C6H8N4O2/c1-10-5(11)2-4(3-8-10)6(12)9-7/h2-3H,7H2,1H3,(H,9,12)
InChIKeyPXFUQACFOVCSKG-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.62
Rot. Bonds1

About 1-methyl-6-oxopyridazine-4-carbohydrazide

1-methyl-6-oxopyridazine-4-carbohydrazide (PubChem CID 59212609) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methyl-6-oxopyridazine-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-6-oxopyridazine-4-carbohydrazide
PubChem CID59212609
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1-methyl-6-oxopyridazine-4-carbohydrazide
SMILESCn1ncc(C(=O)NN)cc1=O
InChIInChI=1S/C6H8N4O2/c1-10-5(11)2-4(3-8-10)6(12)9-7/h2-3H,7H2,1H3,(H,9,12)
InChIKeyPXFUQACFOVCSKG-UHFFFAOYSA-N
XLogP-1.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxopyridazine-4-carbohydrazide?
The IUPAC name of 1-methyl-6-oxopyridazine-4-carbohydrazide (CID 59212609) is 1-methyl-6-oxopyridazine-4-carbohydrazide.
What is the SMILES notation for 1-methyl-6-oxopyridazine-4-carbohydrazide?
The canonical SMILES for 1-methyl-6-oxopyridazine-4-carbohydrazide is Cn1ncc(C(=O)NN)cc1=O.
What is the InChIKey of 1-methyl-6-oxopyridazine-4-carbohydrazide?
The InChIKey is PXFUQACFOVCSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-10-5(11)2-4(3-8-10)6(12)9-7/h2-3H,7H2,1H3,(H,9,12).
What are the key properties of 1-methyl-6-oxopyridazine-4-carbohydrazide?
1-methyl-6-oxopyridazine-4-carbohydrazide has a molecular weight of 168.16 g/mol, XLogP of -1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxopyridazine-4-carbohydrazide is sourced from PubChem (CID 59212609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).