6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide

C10H14BrClN4 — CID 157147061

IUPAC6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide
SMILESBr.CCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4.BrH/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10;/h4-5H2,1-3H3;1H
InChIKeyZODDSTLNSOBJJV-UHFFFAOYSA-N
MW305.61 g/mol
LogP2.92
Rot. Bonds2

About 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide

6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide (PubChem CID 157147061) has the molecular formula C10H14BrClN4 and a molecular weight of 305.61 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide
PubChem CID157147061
Molecular FormulaC10H14BrClN4
Molecular Weight305.61 g/mol
Exact Mass304.01
IUPAC Name6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide
SMILESBr.CCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4.BrH/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10;/h4-5H2,1-3H3;1H
InChIKeyZODDSTLNSOBJJV-UHFFFAOYSA-N
XLogP2.92
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.61
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide?
The IUPAC name of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide (CID 157147061) is 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide is Br.CCCc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide?
The InChIKey is ZODDSTLNSOBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4.BrH/c1-4-5-8-12-13-10-7(3)6(2)9(11)14-15(8)10;/h4-5H2,1-3H3;1H.
What are the key properties of 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide?
6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide has a molecular weight of 305.61 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-propyl-[1,2,4]triazolo[4,3-b]pyridazine;hydrobromide is sourced from PubChem (CID 157147061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).