3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

C13H15ClN4 — CID 43327060

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(CC3CC4CCC3C4)n2n1
InChIInChI=1S/C13H15ClN4/c14-11-3-4-12-15-16-13(18(12)17-11)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2
InChIKeyUBTTZIGZVAXJPY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.76
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine

3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43327060) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43327060
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(CC3CC4CCC3C4)n2n1
InChIInChI=1S/C13H15ClN4/c14-11-3-4-12-15-16-13(18(12)17-11)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2
InChIKeyUBTTZIGZVAXJPY-UHFFFAOYSA-N
XLogP2.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-(2-adamantyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 81100557
1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
CID 63189570
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 115391332
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
CID 114478130
6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555460
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712269
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892629
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
CID 130970925

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 43327060) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(CC3CC4CCC3C4)n2n1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UBTTZIGZVAXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-3-4-12-15-16-13(18(12)17-11)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 262.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43327060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).