1-(4-phenylphenyl)tetrazole

C13H10N4 — CID 606674

IUPAC1-(4-phenylphenyl)tetrazole
SMILESc1ccc(-c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)17-10-14-15-16-17/h1-10H
InChIKeyMPNKAPIXYSIUKU-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-phenylphenyl)tetrazole

1-(4-phenylphenyl)tetrazole (PubChem CID 606674) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(4-phenylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-phenylphenyl)tetrazole
PubChem CID606674
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name1-(4-phenylphenyl)tetrazole
SMILESc1ccc(-c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)17-10-14-15-16-17/h1-10H
InChIKeyMPNKAPIXYSIUKU-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-tetrazole
CID 138477
3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(3-Trifluoromethyl-phenyl)-1H-tetrazole
CID 825506
2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 2114008
2-methyl-5-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 686452
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
n-[2-(2-Fluorophenyl)ethyl]-1-phenyl-1h-1,2,3,4-tetrazol-5-amine
CID 644714
4-Benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-Pyren-1-yl-1H-tetrazole
CID 856007
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)tetrazole?
The IUPAC name of 1-(4-phenylphenyl)tetrazole (CID 606674) is 1-(4-phenylphenyl)tetrazole.
What is the SMILES notation for 1-(4-phenylphenyl)tetrazole?
The canonical SMILES for 1-(4-phenylphenyl)tetrazole is c1ccc(-c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)tetrazole?
The InChIKey is MPNKAPIXYSIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)17-10-14-15-16-17/h1-10H.
What are the key properties of 1-(4-phenylphenyl)tetrazole?
1-(4-phenylphenyl)tetrazole has a molecular weight of 222.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)tetrazole is sourced from PubChem (CID 606674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).