4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine

C9H8N6S — CID 103293858

IUPAC4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc2cccnn12
InChIInChI=1S/C9H8N6S/c1-5-7(16-9(10)12-5)8-14-13-6-3-2-4-11-15(6)8/h2-4H,1H3,(H2,10,12)
InChIKeyQIDNAPLECSPVQN-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.14
Rot. Bonds1

About 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine

4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine (PubChem CID 103293858) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
PubChem CID103293858
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc2cccnn12
InChIInChI=1S/C9H8N6S/c1-5-7(16-9(10)12-5)8-14-13-6-3-2-4-11-15(6)8/h2-4H,1H3,(H2,10,12)
InChIKeyQIDNAPLECSPVQN-UHFFFAOYSA-N
XLogP1.14
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 79816810
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
CID 114003761
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)pyridin-3-amine
CID 103294017
4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103294035
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 62793660
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
2-bromo-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103294077
2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 107050425
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
3-(1-methyl-5-nitroimidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 21455952
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine (CID 103293858) is 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nnc2cccnn12.
What is the InChIKey of 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QIDNAPLECSPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-5-7(16-9(10)12-5)8-14-13-6-3-2-4-11-15(6)8/h2-4H,1H3,(H2,10,12).
What are the key properties of 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine?
4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 232.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 103293858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).