[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol

C13H13N3O — CID 55050048

IUPAC[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C13H13N3O/c17-9-12-5-6-13(15-14-12)16-7-10-3-1-2-4-11(10)8-16/h1-6,17H,7-9H2
InChIKeyYFYRYAIIKDTVSS-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.49
Rot. Bonds2

About [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol

[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol (PubChem CID 55050048) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
PubChem CID55050048
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C13H13N3O/c17-9-12-5-6-13(15-14-12)16-7-10-3-1-2-4-11(10)8-16/h1-6,17H,7-9H2
InChIKeyYFYRYAIIKDTVSS-UHFFFAOYSA-N
XLogP1.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine
CID 62298749
[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
CID 130735742
1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol
CID 106673493
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
[6-(4-ethylpiperidin-1-yl)pyridazin-3-yl]methanol
CID 61421696
[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
CID 61419204
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methanol
CID 64577848
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62285310
[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]methanol
CID 63635194
[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
CID 62206101
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734
N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
CID 141336844

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol (CID 55050048) is [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol is OCc1ccc(N2Cc3ccccc3C2)nn1.
What is the InChIKey of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol?
The InChIKey is YFYRYAIIKDTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-9-12-5-6-13(15-14-12)16-7-10-3-1-2-4-11(10)8-16/h1-6,17H,7-9H2.
What are the key properties of [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol?
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol has a molecular weight of 227.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 55050048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).