6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine

C12H10ClN5O — CID 17452054

IUPAC6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCCc1cc(Oc2ccc3nnnn3n2)ccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-2-8-7-9(3-4-10(8)13)19-12-6-5-11-14-16-17-18(11)15-12/h3-7H,2H2,1H3
InChIKeyYLBGTNGOPIKPAT-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.53
Rot. Bonds3

About 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine

6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine (PubChem CID 17452054) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine
PubChem CID17452054
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCCc1cc(Oc2ccc3nnnn3n2)ccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-2-8-7-9(3-4-10(8)13)19-12-6-5-11-14-16-17-18(11)15-12/h3-7H,2H2,1H3
InChIKeyYLBGTNGOPIKPAT-UHFFFAOYSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Ethylphenoxy)tetrazolo[1,5-b]pyridazine
CID 17512677
6-(4-Chlorophenoxy)tetrazolo(5,1-a)phthalazine
CID 46190994
6-(4-Propan-2-ylphenoxy)tetrazolo[1,5-b]pyridazine
CID 17518910
6-[3-(Trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine
CID 16582314
6-(3-Chloro-4-fluorophenoxy)tetrazolo[1,5-b]pyridazine
CID 17542602
6-(4-Chloro-3-methylphenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 24573480
6-(4-Fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine
CID 133376780
6-(4-Chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133424531
6-[4-Fluoro-3-(trifluoromethyl)phenoxy]tetrazolo[1,5-b]pyridazine
CID 133513227
6-(3-Fluoro-4-methylphenoxy)tetrazolo[1,5-b]pyridazine
CID 133530256
6-(4-Chlorophenoxy)tetrazolo[1,5-b]pyridazine
CID 17513769
6-Phenylmethoxytetrazolo[1,5-b]pyridazine
CID 21534874

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine (CID 17452054) is 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine is CCc1cc(Oc2ccc3nnnn3n2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine?
The InChIKey is YLBGTNGOPIKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-2-8-7-9(3-4-10(8)13)19-12-6-5-11-14-16-17-18(11)15-12/h3-7H,2H2,1H3.
What are the key properties of 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine?
6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine has a molecular weight of 275.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-ethylphenoxy)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 17452054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).