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

C6H7ClN4 — CID 91449121

IUPAC3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1=Nn2c(Cl)nnc2CC1
InChIInChI=1S/C6H7ClN4/c1-4-2-3-5-8-9-6(7)11(5)10-4/h2-3H2,1H3
InChIKeyUEJUHYYYNBNNOZ-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.10
Rot. Bonds

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

3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 91449121) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID91449121
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1=Nn2c(Cl)nnc2CC1
InChIInChI=1S/C6H7ClN4/c1-4-2-3-5-8-9-6(7)11(5)10-4/h2-3H2,1H3
InChIKeyUEJUHYYYNBNNOZ-UHFFFAOYSA-N
XLogP1.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 176983728
6-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 177966842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 91449121) is 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is CC1=Nn2c(Cl)nnc2CC1.
What is the InChIKey of 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UEJUHYYYNBNNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4/c1-4-2-3-5-8-9-6(7)11(5)10-4/h2-3H2,1H3.
What are the key properties of 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 170.60 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 91449121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).