2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone

C15H14N2O2 — CID 114984026

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone
SMILESO=C(CC1OCCc2ccccc21)c1ccnnc1
InChIInChI=1S/C15H14N2O2/c18-14(12-5-7-16-17-10-12)9-15-13-4-2-1-3-11(13)6-8-19-15/h1-5,7,10,15H,6,8-9H2
InChIKeyURTUFPIWFJLPFT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.36
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone

2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone (PubChem CID 114984026) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone
PubChem CID114984026
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone
SMILESO=C(CC1OCCc2ccccc21)c1ccnnc1
InChIInChI=1S/C15H14N2O2/c18-14(12-5-7-16-17-10-12)9-15-13-4-2-1-3-11(13)6-8-19-15/h1-5,7,10,15H,6,8-9H2
InChIKeyURTUFPIWFJLPFT-UHFFFAOYSA-N
XLogP2.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 114984021
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(thiadiazol-4-yl)ethanone
CID 114984049
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723675
1-(5-bromo-2-pyridinyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114982980
1-(3-amino-5-bromophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 116597181
1-(4-amino-3-bromophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 116582084
1-(5-bromofuran-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977069
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
1-(3-bicyclo[3.1.0]hexanyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977102
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 114977236
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 116584943

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone (CID 114984026) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone is O=C(CC1OCCc2ccccc21)c1ccnnc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone?
The InChIKey is URTUFPIWFJLPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(12-5-7-16-17-10-12)9-15-13-4-2-1-3-11(13)6-8-19-15/h1-5,7,10,15H,6,8-9H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone has a molecular weight of 254.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-pyridazin-4-ylethanone is sourced from PubChem (CID 114984026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).