6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide

C14H14N4O2 — CID 79099790

IUPAC6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C14H14N4O2/c15-14(19)11-5-6-13(18-17-11)16-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H2,15,19)(H,16,18)
InChIKeyCDSJQJSMZPUGOW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.99
Rot. Bonds4

About 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide

6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 79099790) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID79099790
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C14H14N4O2/c15-14(19)11-5-6-13(18-17-11)16-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H2,15,19)(H,16,18)
InChIKeyCDSJQJSMZPUGOW-UHFFFAOYSA-N
XLogP0.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide (CID 79099790) is 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide is NC(=O)c1ccc(NCC2Cc3ccccc3O2)nn1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is CDSJQJSMZPUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-14(19)11-5-6-13(18-17-11)16-8-10-7-9-3-1-2-4-12(9)20-10/h1-6,10H,7-8H2,(H2,15,19)(H,16,18).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide?
6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79099790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).