6-phenyltetrazolo[5,1-a]phthalazine

C14H9N5 — CID 1268818

IUPAC6-phenyltetrazolo[5,1-a]phthalazine
SMILESc1ccc(-c2nn3nnnc3c3ccccc23)cc1
InChIInChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-17-18-19(14)16-13/h1-9H
InChIKeyYATFWJWMBNZTGR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.34
Rot. Bonds1

About 6-phenyltetrazolo[5,1-a]phthalazine

6-phenyltetrazolo[5,1-a]phthalazine (PubChem CID 1268818) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-phenyltetrazolo[5,1-a]phthalazine.

Molecular Properties

Compound Name6-phenyltetrazolo[5,1-a]phthalazine
PubChem CID1268818
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name6-phenyltetrazolo[5,1-a]phthalazine
SMILESc1ccc(-c2nn3nnnc3c3ccccc23)cc1
InChIInChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-17-18-19(14)16-13/h1-9H
InChIKeyYATFWJWMBNZTGR-UHFFFAOYSA-N
XLogP2.34
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyltetrazolo[5,1-a]phthalazine?
The IUPAC name of 6-phenyltetrazolo[5,1-a]phthalazine (CID 1268818) is 6-phenyltetrazolo[5,1-a]phthalazine.
What is the SMILES notation for 6-phenyltetrazolo[5,1-a]phthalazine?
The canonical SMILES for 6-phenyltetrazolo[5,1-a]phthalazine is c1ccc(-c2nn3nnnc3c3ccccc23)cc1.
What is the InChIKey of 6-phenyltetrazolo[5,1-a]phthalazine?
The InChIKey is YATFWJWMBNZTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-17-18-19(14)16-13/h1-9H.
What are the key properties of 6-phenyltetrazolo[5,1-a]phthalazine?
6-phenyltetrazolo[5,1-a]phthalazine has a molecular weight of 247.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyltetrazolo[5,1-a]phthalazine is sourced from PubChem (CID 1268818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).