3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine

C12H15ClN4O — CID 68761447

IUPAC3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nnc2ccc(OC3CCCCCC3)nn12
InChIInChI=1S/C12H15ClN4O/c13-12-15-14-10-7-8-11(16-17(10)12)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyRNKRLKFVALLSJS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.88
Rot. Bonds2

About 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine

3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 68761447) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID68761447
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nnc2ccc(OC3CCCCCC3)nn12
InChIInChI=1S/C12H15ClN4O/c13-12-15-14-10-7-8-11(16-17(10)12)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyRNKRLKFVALLSJS-UHFFFAOYSA-N
XLogP2.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 91504680
6-(4-cyclohexyloxyphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133286379
2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131471032
3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479520
N-[6-[(6-cyclohexyloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]-3-methylbutanamide
CID 87564029
3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479958
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
CID 62297892
3-chloro-6-[5-[(4-methylpiperazin-1-yl)methyl]-2-phenylphenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479564
6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-2-amine
CID 141209381
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
2-[3-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-phenylphenyl]-4-phenylbutan-2-amine
CID 89479589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine (CID 68761447) is 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine is Clc1nnc2ccc(OC3CCCCCC3)nn12.
What is the InChIKey of 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RNKRLKFVALLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-12-15-14-10-7-8-11(16-17(10)12)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2.
What are the key properties of 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 266.73 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 68761447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).