N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine

C9H12N4S — CID 130718345

IUPACN-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCSCCNc1ccc2nccn2n1
InChIInChI=1S/C9H12N4S/c1-14-7-5-10-8-2-3-9-11-4-6-13(9)12-8/h2-4,6H,5,7H2,1H3,(H,10,12)
InChIKeyMZBIOAZFTYKAGQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.50
Rot. Bonds4

About N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine

N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 130718345) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID130718345
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCSCCNc1ccc2nccn2n1
InChIInChI=1S/C9H12N4S/c1-14-7-5-10-8-2-3-9-11-4-6-13(9)12-8/h2-4,6H,5,7H2,1H3,(H,10,12)
InChIKeyMZBIOAZFTYKAGQ-UHFFFAOYSA-N
XLogP1.50
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 175786677
1-(imidazo[1,2-b]pyridazin-6-ylamino)-2-methylpropan-2-ol
CID 151019019
tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
2-cyano-N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]-N-methylacetamide
CID 141385936
1-imidazo[1,2-b]pyridazin-6-yl-2-phenylhydrazine
CID 127261754
N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-b]pyridazin-6-amine
CID 71850432
6-(2,2-dimethylpropyl)imidazo[1,2-b]pyridazine
CID 67988768
6-(2-methylpentan-2-yl)imidazo[1,2-b]pyridazine
CID 146319661
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine
CID 167950833
imidazo[1,2-b]pyridazin-6-ylmethanol
CID 59580099
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine
CID 19854390

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 130718345) is N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine is CSCCNc1ccc2nccn2n1.
What is the InChIKey of N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MZBIOAZFTYKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-14-7-5-10-8-2-3-9-11-4-6-13(9)12-8/h2-4,6H,5,7H2,1H3,(H,10,12).
What are the key properties of N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 208.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 130718345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).