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6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide

C17H16N4O2 — CID 109117515

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C17H16N4O2/c22-17(19-12-14-7-4-10-23-14)15-8-9-16(21-20-15)18-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21)(H,19,22)
InChIKeyYLCSAXGATKNOKB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.61
Rot. Bonds6

About 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109117515) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109117515
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C17H16N4O2/c22-17(19-12-14-7-4-10-23-14)15-8-9-16(21-20-15)18-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21)(H,19,22)
InChIKeyYLCSAXGATKNOKB-UHFFFAOYSA-N
XLogP2.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide (CID 109117515) is 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccco1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is YLCSAXGATKNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(19-12-14-7-4-10-23-14)15-8-9-16(21-20-15)18-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21)(H,19,22).
What are the key properties of 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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