1-(3,5-dimethylphenyl)tetrazole

C9H10N4 — CID 4648490

IUPAC1-(3,5-dimethylphenyl)tetrazole
SMILESCc1cc(C)cc(-n2cnnn2)c1
InChIInChI=1S/C9H10N4/c1-7-3-8(2)5-9(4-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyQOIQAANBZHMWDM-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.28
Rot. Bonds1

About 1-(3,5-dimethylphenyl)tetrazole

1-(3,5-dimethylphenyl)tetrazole (PubChem CID 4648490) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)tetrazole
PubChem CID4648490
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name1-(3,5-dimethylphenyl)tetrazole
SMILESCc1cc(C)cc(-n2cnnn2)c1
InChIInChI=1S/C9H10N4/c1-7-3-8(2)5-9(4-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyQOIQAANBZHMWDM-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)tetrazole?
The IUPAC name of 1-(3,5-dimethylphenyl)tetrazole (CID 4648490) is 1-(3,5-dimethylphenyl)tetrazole.
What is the SMILES notation for 1-(3,5-dimethylphenyl)tetrazole?
The canonical SMILES for 1-(3,5-dimethylphenyl)tetrazole is Cc1cc(C)cc(-n2cnnn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)tetrazole?
The InChIKey is QOIQAANBZHMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-3-8(2)5-9(4-7)13-6-10-11-12-13/h3-6H,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)tetrazole?
1-(3,5-dimethylphenyl)tetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)tetrazole is sourced from PubChem (CID 4648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).