6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C5H4ClN5 — CID 15107881

IUPAC6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(Cl)nn12
InChIInChI=1S/C5H4ClN5/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H,(H2,7,9)
InChIKeyFAFHEBCGWJBDNK-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.36
Rot. Bonds

About 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 15107881) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID15107881
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1nnc2ccc(Cl)nn12
InChIInChI=1S/C5H4ClN5/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H,(H2,7,9)
InChIKeyFAFHEBCGWJBDNK-UHFFFAOYSA-N
XLogP0.36
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 613657
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1472385
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 313624
3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine
CID 1482346
6-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine
CID 1489114
6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 911387
6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 71756812
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144393
[1,2,4]Triazolo[4,3-b]pyridazin-3-amine
CID 55289232
6-Chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
6-Chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 4146965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 15107881) is 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is FAFHEBCGWJBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H,(H2,7,9).
What are the key properties of 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 169.58 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 15107881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).