3-methyl-1-phenyl-2H-tetrazole

C8H10N4 — CID 86154353

IUPAC3-methyl-1-phenyl-2H-tetrazole
SMILESCN1N=CN(c2ccccc2)N1
InChIInChI=1S/C8H10N4/c1-11-9-7-12(10-11)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyBDNXYQWMEXRLEF-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.80
Rot. Bonds1

About 3-methyl-1-phenyl-2H-tetrazole

3-methyl-1-phenyl-2H-tetrazole (PubChem CID 86154353) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2H-tetrazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-2H-tetrazole
PubChem CID86154353
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-methyl-1-phenyl-2H-tetrazole
SMILESCN1N=CN(c2ccccc2)N1
InChIInChI=1S/C8H10N4/c1-11-9-7-12(10-11)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyBDNXYQWMEXRLEF-UHFFFAOYSA-N
XLogP0.80
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
4-methyl-2-phenyl-1,5-dihydropyrazole
CID 174606195
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
2,5-dimethyl-1-phenyl-1-aza-2,5-disilanyliacyclopentane
CID 163852968
5-methyl-1,4-diphenyltetrazaborole
CID 610458
4-phenyl-2-(2-phenylethyl)-3H-1,2,4-triazole;propan-1-amine
CID 20533531
2-chloro-3-phenyl-1H-tetrazole
CID 22125377
4-phenyl-5,6-dihydro-1H-1,2,4-triazine
CID 141304061
2-methyl-1-phenyl-5H-tetrazole
CID 174331728
4-methyl-2-phenyl-3-propan-2-yl-3H-1,2,4-triazole
CID 71272932
4-methyl-1-phenyl-1,2,4-triazinane
CID 169115311
3-(2,2-dimethoxyethyl)-1-phenyl-2,4-dihydrotriazine
CID 67915677

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2H-tetrazole?
The IUPAC name of 3-methyl-1-phenyl-2H-tetrazole (CID 86154353) is 3-methyl-1-phenyl-2H-tetrazole.
What is the SMILES notation for 3-methyl-1-phenyl-2H-tetrazole?
The canonical SMILES for 3-methyl-1-phenyl-2H-tetrazole is CN1N=CN(c2ccccc2)N1.
What is the InChIKey of 3-methyl-1-phenyl-2H-tetrazole?
The InChIKey is BDNXYQWMEXRLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-11-9-7-12(10-11)8-5-3-2-4-6-8/h2-7,10H,1H3.
What are the key properties of 3-methyl-1-phenyl-2H-tetrazole?
3-methyl-1-phenyl-2H-tetrazole has a molecular weight of 162.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2H-tetrazole is sourced from PubChem (CID 86154353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).