6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C13H16N6S — CID 176506808

IUPAC6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCc2csc(C(C)C)n2)c2nncn2n1
InChIInChI=1S/C13H16N6S/c1-8(2)13-16-10(6-20-13)5-14-11-4-9(3)18-19-7-15-17-12(11)19/h4,6-8,14H,5H2,1-3H3
InChIKeyREDFXKJMCJVXTR-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.62
Rot. Bonds4

About 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176506808) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176506808
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCc2csc(C(C)C)n2)c2nncn2n1
InChIInChI=1S/C13H16N6S/c1-8(2)13-16-10(6-20-13)5-14-11-4-9(3)18-19-7-15-17-12(11)19/h4,6-8,14H,5H2,1-3H3
InChIKeyREDFXKJMCJVXTR-UHFFFAOYSA-N
XLogP2.62
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176506808) is 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCc2csc(C(C)C)n2)c2nncn2n1.
What is the InChIKey of 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is REDFXKJMCJVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-8(2)13-16-10(6-20-13)5-14-11-4-9(3)18-19-7-15-17-12(11)19/h4,6-8,14H,5H2,1-3H3.
What are the key properties of 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 288.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176506808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).