1-(3-methylphenyl)tetrazole

C8H8N4 — CID 14450259

IUPAC1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H8N4/c1-7-3-2-4-8(5-7)12-6-9-10-11-12/h2-6H,1H3
InChIKeyYNRHXRGSDWKRDA-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

About 1-(3-methylphenyl)tetrazole

1-(3-methylphenyl)tetrazole (PubChem CID 14450259) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-(3-methylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-methylphenyl)tetrazole
PubChem CID14450259
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H8N4/c1-7-3-2-4-8(5-7)12-6-9-10-11-12/h2-6H,1H3
InChIKeyYNRHXRGSDWKRDA-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 1-(3-methylphenyl)tetrazole?
The IUPAC name of 1-(3-methylphenyl)tetrazole (CID 14450259) is 1-(3-methylphenyl)tetrazole.
What is the SMILES notation for 1-(3-methylphenyl)tetrazole?
The canonical SMILES for 1-(3-methylphenyl)tetrazole is Cc1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-(3-methylphenyl)tetrazole?
The InChIKey is YNRHXRGSDWKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-3-2-4-8(5-7)12-6-9-10-11-12/h2-6H,1H3.
What are the key properties of 1-(3-methylphenyl)tetrazole?
1-(3-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 1-(3-methylphenyl)tetrazole is sourced from PubChem (CID 14450259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).