6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine

C11H9ClN4O — CID 43144335

IUPAC6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(CCc3ccco3)n2n1
InChIInChI=1S/C11H9ClN4O/c12-9-4-6-11-14-13-10(16(11)15-9)5-3-8-2-1-7-17-8/h1-2,4,6-7H,3,5H2
InChIKeyJHDXEBCVDKGYDU-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.16
Rot. Bonds3

About 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144335) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144335
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(CCc3ccco3)n2n1
InChIInChI=1S/C11H9ClN4O/c12-9-4-6-11-14-13-10(16(11)15-9)5-3-8-2-1-7-17-8/h1-2,4,6-7H,3,5H2
InChIKeyJHDXEBCVDKGYDU-UHFFFAOYSA-N
XLogP2.16
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 20956981
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
6-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 114289854
N-(3-acetylphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957099
N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957093
N-[2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzamide
CID 52903854
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20957119
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
CID 20957116
3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327060
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 20957066
1-bromo-6-chloro-3-[2-(furan-2-yl)ethyl]imidazo[1,5-a]pyridine
CID 84744807

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144335) is 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(CCc3ccco3)n2n1.
What is the InChIKey of 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JHDXEBCVDKGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-4-6-11-14-13-10(16(11)15-9)5-3-8-2-1-7-17-8/h1-2,4,6-7H,3,5H2.
What are the key properties of 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.67 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).