2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one

C15H17N3O2 — CID 103218917

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2Cc3ccccc3O2)c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-16-12-8-15(19)18(17-9-12)10-13-7-11-5-3-4-6-14(11)20-13/h3-6,8-9,13,16H,2,7,10H2,1H3
InChIKeyUJQRPZPZAIUQEF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.68
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one (PubChem CID 103218917) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
PubChem CID103218917
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2Cc3ccccc3O2)c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-16-12-8-15(19)18(17-9-12)10-13-7-11-5-3-4-6-14(11)20-13/h3-6,8-9,13,16H,2,7,10H2,1H3
InChIKeyUJQRPZPZAIUQEF-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218760
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 103218410
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
CID 103221982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80797379
N-[[5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 66393303
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one (CID 103218917) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one is CCNc1cnn(CC2Cc3ccccc3O2)c(=O)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one?
The InChIKey is UJQRPZPZAIUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-16-12-8-15(19)18(17-9-12)10-13-7-11-5-3-4-6-14(11)20-13/h3-6,8-9,13,16H,2,7,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one has a molecular weight of 271.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103218917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).