7-chlorotetrazolo[5,1-a]phthalazine

C8H4ClN5 — CID 170354928

IUPAC7-chlorotetrazolo[5,1-a]phthalazine
SMILESClc1cccc2c1cnn1nnnc21
InChIInChI=1S/C8H4ClN5/c9-7-3-1-2-5-6(7)4-10-14-8(5)11-12-13-14/h1-4H
InChIKeyMPBPRHIXULMOJF-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.33
Rot. Bonds

About 7-chlorotetrazolo[5,1-a]phthalazine

7-chlorotetrazolo[5,1-a]phthalazine (PubChem CID 170354928) has the molecular formula C8H4ClN5 and a molecular weight of 205.61 g/mol. Its IUPAC name is 7-chlorotetrazolo[5,1-a]phthalazine.

Molecular Properties

Compound Name7-chlorotetrazolo[5,1-a]phthalazine
PubChem CID170354928
Molecular FormulaC8H4ClN5
Molecular Weight205.61 g/mol
Exact Mass205.02
IUPAC Name7-chlorotetrazolo[5,1-a]phthalazine
SMILESClc1cccc2c1cnn1nnnc21
InChIInChI=1S/C8H4ClN5/c9-7-3-1-2-5-6(7)4-10-14-8(5)11-12-13-14/h1-4H
InChIKeyMPBPRHIXULMOJF-UHFFFAOYSA-N
XLogP1.33
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chlorotetrazolo[5,1-a]phthalazine?
The IUPAC name of 7-chlorotetrazolo[5,1-a]phthalazine (CID 170354928) is 7-chlorotetrazolo[5,1-a]phthalazine.
What is the SMILES notation for 7-chlorotetrazolo[5,1-a]phthalazine?
The canonical SMILES for 7-chlorotetrazolo[5,1-a]phthalazine is Clc1cccc2c1cnn1nnnc21.
What is the InChIKey of 7-chlorotetrazolo[5,1-a]phthalazine?
The InChIKey is MPBPRHIXULMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN5/c9-7-3-1-2-5-6(7)4-10-14-8(5)11-12-13-14/h1-4H.
What are the key properties of 7-chlorotetrazolo[5,1-a]phthalazine?
7-chlorotetrazolo[5,1-a]phthalazine has a molecular weight of 205.61 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorotetrazolo[5,1-a]phthalazine is sourced from PubChem (CID 170354928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).