3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

C9H11ClN4 — CID 23000326

IUPAC3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C9H11ClN4/c1-9(2,3)8-12-11-7-5-4-6(10)13-14(7)8/h4-5H,1-3H3
InChIKeyOIAUBHCLFFRPGV-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.08
Rot. Bonds

About 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 23000326) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID23000326
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C9H11ClN4/c1-9(2,3)8-12-11-7-5-4-6(10)13-14(7)8/h4-5H,1-3H3
InChIKeyOIAUBHCLFFRPGV-UHFFFAOYSA-N
XLogP2.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144393
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
3-Bromo-6-chloro-(1,2,4)triazolo(4,3-b)pyridazine
CID 3770603

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 23000326) is 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)(C)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OIAUBHCLFFRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-9(2,3)8-12-11-7-5-4-6(10)13-14(7)8/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 210.67 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 23000326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).