5-methyl-2-phenyltetrazole

C8H8N4 — CID 21117065

IUPAC5-methyl-2-phenyltetrazole
SMILESCc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H8N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyDWFDADZCRATSDV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

About 5-methyl-2-phenyltetrazole

5-methyl-2-phenyltetrazole (PubChem CID 21117065) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-methyl-2-phenyltetrazole.

Molecular Properties

Compound Name5-methyl-2-phenyltetrazole
PubChem CID21117065
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5-methyl-2-phenyltetrazole
SMILESCc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H8N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyDWFDADZCRATSDV-UHFFFAOYSA-N
XLogP0.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyltetrazole?
The IUPAC name of 5-methyl-2-phenyltetrazole (CID 21117065) is 5-methyl-2-phenyltetrazole.
What is the SMILES notation for 5-methyl-2-phenyltetrazole?
The canonical SMILES for 5-methyl-2-phenyltetrazole is Cc1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenyltetrazole?
The InChIKey is DWFDADZCRATSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-methyl-2-phenyltetrazole?
5-methyl-2-phenyltetrazole has a molecular weight of 160.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyltetrazole is sourced from PubChem (CID 21117065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).