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

C12H14N6S — CID 164638440

IUPAC3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1csc([C@H](C)Nc2ccc3nnc(C)n3n2)n1
InChIInChI=1S/C12H14N6S/c1-7-6-19-12(13-7)8(2)14-10-4-5-11-16-15-9(3)18(11)17-10/h4-6,8H,1-3H3,(H,14,17)/t8-/m0/s1
InChIKeyXASFPGVQCNVJGC-QMMMGPOBSA-N
MW274.35 g/mol
LogP2.37
Rot. Bonds3

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

3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 164638440) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID164638440
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1csc([C@H](C)Nc2ccc3nnc(C)n3n2)n1
InChIInChI=1S/C12H14N6S/c1-7-6-19-12(13-7)8(2)14-10-4-5-11-16-15-9(3)18(11)17-10/h4-6,8H,1-3H3,(H,14,17)/t8-/m0/s1
InChIKeyXASFPGVQCNVJGC-QMMMGPOBSA-N
XLogP2.37
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 164638440) is 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1csc([C@H](C)Nc2ccc3nnc(C)n3n2)n1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is XASFPGVQCNVJGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N6S/c1-7-6-19-12(13-7)8(2)14-10-4-5-11-16-15-9(3)18(11)17-10/h4-6,8H,1-3H3,(H,14,17)/t8-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 274.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 164638440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).