6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

C11H12N6O — CID 106897774

IUPAC6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2cccnn2)n1
InChIInChI=1S/C11H12N6O/c12-16-10-5-1-4-9(15-10)11(18)13-7-8-3-2-6-14-17-8/h1-6H,7,12H2,(H,13,18)(H,15,16)
InChIKeyBHLSGLUZOLMSKR-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.09
Rot. Bonds4

About 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106897774) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106897774
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2cccnn2)n1
InChIInChI=1S/C11H12N6O/c12-16-10-5-1-4-9(15-10)11(18)13-7-8-3-2-6-14-17-8/h1-6H,7,12H2,(H,13,18)(H,15,16)
InChIKeyBHLSGLUZOLMSKR-UHFFFAOYSA-N
XLogP0.09
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (CID 106897774) is 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is NNc1cccc(C(=O)NCc2cccnn2)n1.
What is the InChIKey of 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BHLSGLUZOLMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-16-10-5-1-4-9(15-10)11(18)13-7-8-3-2-6-14-17-8/h1-6H,7,12H2,(H,13,18)(H,15,16).
What are the key properties of 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 244.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106897774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).