6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine

C14H8ClN5O — CID 16579711

IUPAC6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine
SMILESClc1ccc(Oc2ccc3nnnn3n2)c2ccccc12
InChIInChI=1S/C14H8ClN5O/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-14-8-7-13-16-18-19-20(13)17-14/h1-8H
InChIKeySLWYCYIHQTZEKE-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.12
Rot. Bonds2

About 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine

6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine (PubChem CID 16579711) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine
PubChem CID16579711
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine
SMILESClc1ccc(Oc2ccc3nnnn3n2)c2ccccc12
InChIInChI=1S/C14H8ClN5O/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-14-8-7-13-16-18-19-20(13)17-14/h1-8H
InChIKeySLWYCYIHQTZEKE-UHFFFAOYSA-N
XLogP3.12
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine (CID 16579711) is 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine is Clc1ccc(Oc2ccc3nnnn3n2)c2ccccc12.
What is the InChIKey of 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine?
The InChIKey is SLWYCYIHQTZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-14-8-7-13-16-18-19-20(13)17-14/h1-8H.
What are the key properties of 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine?
6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine has a molecular weight of 297.71 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloronaphthalen-1-yl)oxytetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16579711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).