6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C10H11F3N4S — CID 141434411

IUPAC6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCSc1cc(NCCC(F)(F)F)c2nccn2n1
InChIInChI=1S/C10H11F3N4S/c1-18-8-6-7(14-3-2-10(11,12)13)9-15-4-5-17(9)16-8/h4-6,14H,2-3H2,1H3
InChIKeyFVQRTCYTLBKQPB-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.82
Rot. Bonds4

About 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 141434411) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID141434411
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCSc1cc(NCCC(F)(F)F)c2nccn2n1
InChIInChI=1S/C10H11F3N4S/c1-18-8-6-7(14-3-2-10(11,12)13)9-15-4-5-17(9)16-8/h4-6,14H,2-3H2,1H3
InChIKeyFVQRTCYTLBKQPB-UHFFFAOYSA-N
XLogP2.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 141434411) is 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is CSc1cc(NCCC(F)(F)F)c2nccn2n1.
What is the InChIKey of 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is FVQRTCYTLBKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-18-8-6-7(14-3-2-10(11,12)13)9-15-4-5-17(9)16-8/h4-6,14H,2-3H2,1H3.
What are the key properties of 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 276.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 141434411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).