3,4-diphenyl-2H-tetrazole

C13H12N4 — CID 91195326

IUPAC3,4-diphenyl-2H-tetrazole
SMILESC1=NNN(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C13H12N4/c1-3-7-12(8-4-1)16-11-14-15-17(16)13-9-5-2-6-10-13/h1-11,15H
InChIKeyRRAXVFLTNGLSDC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.38
Rot. Bonds2

About 3,4-diphenyl-2H-tetrazole

3,4-diphenyl-2H-tetrazole (PubChem CID 91195326) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3,4-diphenyl-2H-tetrazole.

Molecular Properties

Compound Name3,4-diphenyl-2H-tetrazole
PubChem CID91195326
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3,4-diphenyl-2H-tetrazole
SMILESC1=NNN(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C13H12N4/c1-3-7-12(8-4-1)16-11-14-15-17(16)13-9-5-2-6-10-13/h1-11,15H
InChIKeyRRAXVFLTNGLSDC-UHFFFAOYSA-N
XLogP2.38
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine
CID 141107806
5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride
CID 173352497
2,3-diphenyltetrazolidine-5-thione
CID 11673301
2,3,5-triphenyl-1H-tetrazole
CID 506591
3,4,5-triphenyl-2H-tetrazole
CID 54329627
2,3-diphenyl-1H-benzotriazole
CID 175768645
4-phenyl-5,6-dihydro-1H-1,2,4-triazine
CID 141304061
5-[4-(2,3-diphenyl-1H-tetrazol-5-yl)butyl]-2,3-diphenyl-1H-tetrazole;dihydrobromide
CID 173436491
3-methyl-1-phenyl-2H-tetrazole
CID 86154353
3,5-diphenyl-4-propyl-2H-tetrazole
CID 70408483
2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine
CID 71436327
2-chloro-3-phenyl-1H-tetrazole
CID 22125377

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2H-tetrazole?
The IUPAC name of 3,4-diphenyl-2H-tetrazole (CID 91195326) is 3,4-diphenyl-2H-tetrazole.
What is the SMILES notation for 3,4-diphenyl-2H-tetrazole?
The canonical SMILES for 3,4-diphenyl-2H-tetrazole is C1=NNN(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3,4-diphenyl-2H-tetrazole?
The InChIKey is RRAXVFLTNGLSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-3-7-12(8-4-1)16-11-14-15-17(16)13-9-5-2-6-10-13/h1-11,15H.
What are the key properties of 3,4-diphenyl-2H-tetrazole?
3,4-diphenyl-2H-tetrazole has a molecular weight of 224.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2H-tetrazole is sourced from PubChem (CID 91195326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).