6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine

C14H8ClN5O — CID 46190994

IUPAC6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine
SMILESClc1ccc(Oc2nn3nnnc3c3ccccc23)cc1
InChIInChI=1S/C14H8ClN5O/c15-9-5-7-10(8-6-9)21-14-12-4-2-1-3-11(12)13-16-18-19-20(13)17-14/h1-8H
InChIKeyKADJHMQFWKPVKP-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.12
Rot. Bonds2

About 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine

6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine (PubChem CID 46190994) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine
PubChem CID46190994
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine
SMILESClc1ccc(Oc2nn3nnnc3c3ccccc23)cc1
InChIInChI=1S/C14H8ClN5O/c15-9-5-7-10(8-6-9)21-14-12-4-2-1-3-11(12)13-16-18-19-20(13)17-14/h1-8H
InChIKeyKADJHMQFWKPVKP-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-chlorophenoxy)tetrazolo[5,1-a]phthalazine?
The IUPAC name of 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine (CID 46190994) is 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine.
What is the SMILES notation for 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine?
The canonical SMILES for 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine is Clc1ccc(Oc2nn3nnnc3c3ccccc23)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine?
The InChIKey is KADJHMQFWKPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-9-5-7-10(8-6-9)21-14-12-4-2-1-3-11(12)13-16-18-19-20(13)17-14/h1-8H.
What are the key properties of 6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine?
6-(4-chlorophenoxy)tetrazolo[5,1-a]phthalazine 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-chlorophenoxy)tetrazolo[5,1-a]phthalazine is sourced from PubChem (CID 46190994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).