[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol

C10H15N3OS — CID 61419204

IUPAC[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CCCSCC2)nn1
InChIInChI=1S/C10H15N3OS/c14-8-9-2-3-10(12-11-9)13-4-1-6-15-7-5-13/h2-3,14H,1,4-8H2
InChIKeyRQFXOERCIMOJFF-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.91
Rot. Bonds2

About [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol

[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol (PubChem CID 61419204) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
PubChem CID61419204
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CCCSCC2)nn1
InChIInChI=1S/C10H15N3OS/c14-8-9-2-3-10(12-11-9)13-4-1-6-15-7-5-13/h2-3,14H,1,4-8H2
InChIKeyRQFXOERCIMOJFF-UHFFFAOYSA-N
XLogP0.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
4-(6-chloropyridazin-3-yl)-1,4-thiazepane
CID 61423484
[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
CID 61419845
[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-ethylpiperidin-1-yl)pyridazin-3-yl]methanol
CID 61421696
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
CID 55050048
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]methanol
CID 63635194
6-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
CID 80638677

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol (CID 61419204) is [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol is OCc1ccc(N2CCCSCC2)nn1.
What is the InChIKey of [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol?
The InChIKey is RQFXOERCIMOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-8-9-2-3-10(12-11-9)13-4-1-6-15-7-5-13/h2-3,14H,1,4-8H2.
What are the key properties of [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol?
[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol has a molecular weight of 225.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 61419204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).