6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H8ClN5 — CID 114289854

IUPAC6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cc3cccnc3)n2n1
InChIInChI=1S/C11H8ClN5/c12-9-3-4-10-14-15-11(17(10)16-9)6-8-2-1-5-13-7-8/h1-5,7H,6H2
InChIKeyZMGYNCOWNHJPEM-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.76
Rot. Bonds2

About 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 114289854) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID114289854
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cc3cccnc3)n2n1
InChIInChI=1S/C11H8ClN5/c12-9-3-4-10-14-15-11(17(10)16-9)6-8-2-1-5-13-7-8/h1-5,7H,6H2
InChIKeyZMGYNCOWNHJPEM-UHFFFAOYSA-N
XLogP1.76
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394428
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
3-benzyl-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 58959666
6-chloro-3-heptyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144368
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
CID 167431604
methyl 8-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393637
N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
CID 166050672
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 114289854) is 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(Cc3cccnc3)n2n1.
What is the InChIKey of 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZMGYNCOWNHJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-9-3-4-10-14-15-11(17(10)16-9)6-8-2-1-5-13-7-8/h1-5,7H,6H2.
What are the key properties of 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 245.67 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 114289854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).