3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H14N8S — CID 71097762

IUPAC3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc(-c2cnc3ccc(Sc4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C18H14N8S/c1-25-10-13(9-21-25)12-6-11-7-14(2-3-15(11)20-8-12)27-18-23-22-17-5-4-16(19)24-26(17)18/h2-10H,1H3,(H2,19,24)
InChIKeyXAOUFFXOMPYETB-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.81
Rot. Bonds3

About 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71097762) has the molecular formula C18H14N8S and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71097762
Molecular FormulaC18H14N8S
Molecular Weight374.43 g/mol
Exact Mass374.11
IUPAC Name3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc(-c2cnc3ccc(Sc4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C18H14N8S/c1-25-10-13(9-21-25)12-6-11-7-14(2-3-15(11)20-8-12)27-18-23-22-17-5-4-16(19)24-26(17)18/h2-10H,1H3,(H2,19,24)
InChIKeyXAOUFFXOMPYETB-UHFFFAOYSA-N
XLogP2.81
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

methanesulfonic acid;3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 56650917
6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine
CID 89443347
4-chloro-3-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 137395703
4-[[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]amino]piperidine-1-carboxylic acid
CID 89443322
3-(4,4-difluoropiperidin-1-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 71536361
tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane
CID 86696262
(NE)-N-[1-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylidene]hydroxylamine
CID 140622894
N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
CID 141370272
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
(1S)-2-cyclopropyl-1-[3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 25145474
1-[6-[[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-ol
CID 136641571
3-(1,4-diazepan-1-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-1,4-diazepan-1-yl]ethanol
CID 160558083

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71097762) is 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cn1cc(-c2cnc3ccc(Sc4nnc5ccc(N)nn45)cc3c2)cn1.
What is the InChIKey of 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is XAOUFFXOMPYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8S/c1-25-10-13(9-21-25)12-6-11-7-14(2-3-15(11)20-8-12)27-18-23-22-17-5-4-16(19)24-26(17)18/h2-10H,1H3,(H2,19,24).
What are the key properties of 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 374.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71097762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).