6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide

C9H10N6O2 — CID 106423177

IUPAC6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccno2)nn1
InChIInChI=1S/C9H10N6O2/c10-13-8-2-1-7(14-15-8)9(16)11-5-6-3-4-12-17-6/h1-4H,5,10H2,(H,11,16)(H,13,15)
InChIKeyZKPFWVLRIDAPFX-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.32
Rot. Bonds4

About 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide

6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 106423177) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID106423177
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccno2)nn1
InChIInChI=1S/C9H10N6O2/c10-13-8-2-1-7(14-15-8)9(16)11-5-6-3-4-12-17-6/h1-4H,5,10H2,(H,11,16)(H,13,15)
InChIKeyZKPFWVLRIDAPFX-UHFFFAOYSA-N
XLogP-0.32
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide (CID 106423177) is 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide is NNc1ccc(C(=O)NCc2ccno2)nn1.
What is the InChIKey of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is ZKPFWVLRIDAPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-13-8-2-1-7(14-15-8)9(16)11-5-6-3-4-12-17-6/h1-4H,5,10H2,(H,11,16)(H,13,15).
What are the key properties of 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide?
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 106423177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).