2-methyl-1-phenyl-5H-tetrazole

C8H10N4 — CID 174331728

IUPAC2-methyl-1-phenyl-5H-tetrazole
SMILESCN1N=NCN1c1ccccc1
InChIInChI=1S/C8H10N4/c1-11-10-9-7-12(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWQOAGFUXYVOTAX-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.68
Rot. Bonds1

About 2-methyl-1-phenyl-5H-tetrazole

2-methyl-1-phenyl-5H-tetrazole (PubChem CID 174331728) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-methyl-1-phenyl-5H-tetrazole.

Molecular Properties

Compound Name2-methyl-1-phenyl-5H-tetrazole
PubChem CID174331728
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-methyl-1-phenyl-5H-tetrazole
SMILESCN1N=NCN1c1ccccc1
InChIInChI=1S/C8H10N4/c1-11-10-9-7-12(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWQOAGFUXYVOTAX-UHFFFAOYSA-N
XLogP1.68
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-5H-tetrazole?
The IUPAC name of 2-methyl-1-phenyl-5H-tetrazole (CID 174331728) is 2-methyl-1-phenyl-5H-tetrazole.
What is the SMILES notation for 2-methyl-1-phenyl-5H-tetrazole?
The canonical SMILES for 2-methyl-1-phenyl-5H-tetrazole is CN1N=NCN1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-5H-tetrazole?
The InChIKey is WQOAGFUXYVOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-11-10-9-7-12(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-1-phenyl-5H-tetrazole?
2-methyl-1-phenyl-5H-tetrazole has a molecular weight of 162.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-5H-tetrazole is sourced from PubChem (CID 174331728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).