2-(4-methylphenyl)tetrazole

C8H8N4 — CID 19093062

IUPAC2-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2ncnn2)cc1
InChIInChI=1S/C8H8N4/c1-7-2-4-8(5-3-7)12-10-6-9-11-12/h2-6H,1H3
InChIKeyBBGVBGLRZBOZPF-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

About 2-(4-methylphenyl)tetrazole

2-(4-methylphenyl)tetrazole (PubChem CID 19093062) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-(4-methylphenyl)tetrazole
PubChem CID19093062
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2ncnn2)cc1
InChIInChI=1S/C8H8N4/c1-7-2-4-8(5-3-7)12-10-6-9-11-12/h2-6H,1H3
InChIKeyBBGVBGLRZBOZPF-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 2-(4-methylphenyl)tetrazole?
The IUPAC name of 2-(4-methylphenyl)tetrazole (CID 19093062) is 2-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-(4-methylphenyl)tetrazole is Cc1ccc(-n2ncnn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)tetrazole?
The InChIKey is BBGVBGLRZBOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-2-4-8(5-3-7)12-10-6-9-11-12/h2-6H,1H3.
What are the key properties of 2-(4-methylphenyl)tetrazole?
2-(4-methylphenyl)tetrazole 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 2-(4-methylphenyl)tetrazole is sourced from PubChem (CID 19093062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).