6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide

C13H12N4O3 — CID 79006050

IUPAC6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C13H12N4O3/c14-13(18)9-2-4-12(17-16-9)15-6-8-1-3-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H2,14,18)(H,15,17)
InChIKeyBBZURPJOCLZVDC-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.92
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide

6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 79006050) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
PubChem CID79006050
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C13H12N4O3/c14-13(18)9-2-4-12(17-16-9)15-6-8-1-3-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H2,14,18)(H,15,17)
InChIKeyBBZURPJOCLZVDC-UHFFFAOYSA-N
XLogP0.92
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
methyl 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylate
CID 60757560
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylpropanamide
CID 113041820
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109120416
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119641
[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120358
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113041856
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109120429
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041829

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide (CID 79006050) is 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide is NC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is BBZURPJOCLZVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-13(18)9-2-4-12(17-16-9)15-6-8-1-3-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H2,14,18)(H,15,17).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide?
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79006050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).