6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine

C12H11N3O2S — CID 121015772

IUPAC6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine
SMILESNc1ccc(SCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C12H11N3O2S/c13-11-3-4-12(15-14-11)18-6-8-1-2-9-10(5-8)17-7-16-9/h1-5H,6-7H2,(H2,13,14)
InChIKeyQQMALHCUVBSIAD-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.08
Rot. Bonds3

About 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine

6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine (PubChem CID 121015772) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine
PubChem CID121015772
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine
SMILESNc1ccc(SCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C12H11N3O2S/c13-11-3-4-12(15-14-11)18-6-8-1-2-9-10(5-8)17-7-16-9/h1-5H,6-7H2,(H2,13,14)
InChIKeyQQMALHCUVBSIAD-UHFFFAOYSA-N
XLogP2.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridine-4-carboxylic acid
CID 61300128
[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methylazanium
CID 9170699
6-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 95921290
4-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-(3-methylpiperidin-1-yl)pyrimidine
CID 110278168
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816
4-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 95918645
3-(1,3-benzodioxol-5-yl)-6-ethylsulfanylpyridazine
CID 7502887
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-4-amine
CID 95922161
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 690674
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766215
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine (CID 121015772) is 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine is Nc1ccc(SCc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine?
The InChIKey is QQMALHCUVBSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-11-3-4-12(15-14-11)18-6-8-1-2-9-10(5-8)17-7-16-9/h1-5H,6-7H2,(H2,13,14).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine?
6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine has a molecular weight of 261.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridazin-3-amine is sourced from PubChem (CID 121015772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).