6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid

C8H7ClF3N5O2 — CID 86650795

IUPAC6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Cl)nn2c(N)nnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H6ClN5.C2HF3O2/c1-3-2-4(7)11-12-5(3)9-10-6(12)8;3-2(4,5)1(6)7/h2H,1H3,(H2,8,10);(H,6,7)
InChIKeyUIQGJCICWJZDDQ-UHFFFAOYSA-N
MW297.62 g/mol
LogP1.30
Rot. Bonds

About 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid

6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 86650795) has the molecular formula C8H7ClF3N5O2 and a molecular weight of 297.62 g/mol. Its IUPAC name is 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID86650795
Molecular FormulaC8H7ClF3N5O2
Molecular Weight297.62 g/mol
Exact Mass297.02
IUPAC Name6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Cl)nn2c(N)nnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H6ClN5.C2HF3O2/c1-3-2-4(7)11-12-5(3)9-10-6(12)8;3-2(4,5)1(6)7/h2H,1H3,(H2,8,10);(H,6,7)
InChIKeyUIQGJCICWJZDDQ-UHFFFAOYSA-N
XLogP1.30
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.62
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid (CID 86650795) is 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid is Cc1cc(Cl)nn2c(N)nnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UIQGJCICWJZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5.C2HF3O2/c1-3-2-4(7)11-12-5(3)9-10-6(12)8;3-2(4,5)1(6)7/h2H,1H3,(H2,8,10);(H,6,7).
What are the key properties of 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid?
6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 297.62 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86650795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).