6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C6H6ClN5 — CID 71756812

IUPAC6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(N)cc(Cl)nn12
InChIInChI=1S/C6H6ClN5/c1-3-9-10-6-4(8)2-5(7)11-12(3)6/h2H,8H2,1H3
InChIKeyDPQWAJPMHCHEBY-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.67
Rot. Bonds

About 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 71756812) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID71756812
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(N)cc(Cl)nn12
InChIInChI=1S/C6H6ClN5/c1-3-9-10-6-4(8)2-5(7)11-12(3)6/h2H,8H2,1H3
InChIKeyDPQWAJPMHCHEBY-UHFFFAOYSA-N
XLogP0.67
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 71756812) is 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1nnc2c(N)cc(Cl)nn12.
What is the InChIKey of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is DPQWAJPMHCHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-3-9-10-6-4(8)2-5(7)11-12(3)6/h2H,8H2,1H3.
What are the key properties of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 183.60 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 71756812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).