2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole

C13H13N3S — CID 175827609

IUPAC2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole
SMILESCSc1cnncc1N1Cc2ccccc2C1
InChIInChI=1S/C13H13N3S/c1-17-13-7-15-14-6-12(13)16-8-10-4-2-3-5-11(10)9-16/h2-7H,8-9H2,1H3
InChIKeyWPEYVBSDCNLLTA-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole

2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole (PubChem CID 175827609) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole
PubChem CID175827609
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole
SMILESCSc1cnncc1N1Cc2ccccc2C1
InChIInChI=1S/C13H13N3S/c1-17-13-7-15-14-6-12(13)16-8-10-4-2-3-5-11(10)9-16/h2-7H,8-9H2,1H3
InChIKeyWPEYVBSDCNLLTA-UHFFFAOYSA-N
XLogP2.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-1H-pyrazol-5-amine
CID 114999350
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
2-(2,5-difluorophenyl)-1,3-dihydroisoindole
CID 22638395
6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675
1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
CID 62205545
2-(6-methyl-3-pyridinyl)-1,3-dihydroisoindole
CID 118459671
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
CID 133470505
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole (CID 175827609) is 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole is CSc1cnncc1N1Cc2ccccc2C1.
What is the InChIKey of 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole?
The InChIKey is WPEYVBSDCNLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-17-13-7-15-14-6-12(13)16-8-10-4-2-3-5-11(10)9-16/h2-7H,8-9H2,1H3.
What are the key properties of 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole?
2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole has a molecular weight of 243.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylpyridazin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 175827609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).