6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C8H9ClN4 — CID 81441704

IUPAC6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C)nnc2c1C
InChIInChI=1S/C8H9ClN4/c1-4-5(2)8-11-10-6(3)13(8)12-7(4)9/h1-3H3
InChIKeyDPOOBDSRZWPEFV-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.70
Rot. Bonds

About 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81441704) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81441704
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C)nnc2c1C
InChIInChI=1S/C8H9ClN4/c1-4-5(2)8-11-10-6(3)13(8)12-7(4)9/h1-3H3
InChIKeyDPOOBDSRZWPEFV-UHFFFAOYSA-N
XLogP1.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81441704) is 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(C)nnc2c1C.
What is the InChIKey of 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DPOOBDSRZWPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-4-5(2)8-11-10-6(3)13(8)12-7(4)9/h1-3H3.
What are the key properties of 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 196.64 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81441704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).