methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate

C14H13N3O3 — CID 62064686

IUPACmethyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2COc3ccccc32)nn1
InChIInChI=1S/C14H13N3O3/c1-19-14(18)10-6-7-13(17-16-10)15-11-8-20-12-5-3-2-4-9(11)12/h2-7,11H,8H2,1H3,(H,15,17)
InChIKeyFPHSMDRFVIQOET-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.81
Rot. Bonds3

About methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate

methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate (PubChem CID 62064686) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
PubChem CID62064686
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2COc3ccccc32)nn1
InChIInChI=1S/C14H13N3O3/c1-19-14(18)10-6-7-13(17-16-10)15-11-8-20-12-5-3-2-4-9(11)12/h2-7,11H,8H2,1H3,(H,15,17)
InChIKeyFPHSMDRFVIQOET-UHFFFAOYSA-N
XLogP1.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate (CID 62064686) is methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NC2COc3ccccc32)nn1.
What is the InChIKey of methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate?
The InChIKey is FPHSMDRFVIQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-14(18)10-6-7-13(17-16-10)15-11-8-20-12-5-3-2-4-9(11)12/h2-7,11H,8H2,1H3,(H,15,17).
What are the key properties of methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate?
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 62064686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).