5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole

C16H14N8 — CID 15279617

IUPAC5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)ccc1CCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H14N8/c1(11-3-7-13(8-4-11)15-17-21-22-18-15)2-12-5-9-14(10-6-12)16-19-23-24-20-16/h3-10H,1-2H2,(H,17,18,21,22)(H,19,20,23,24)
InChIKeyXETZIUSUSABOEM-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.83
Rot. Bonds5

About 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole

5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole (PubChem CID 15279617) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
PubChem CID15279617
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)ccc1CCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H14N8/c1(11-3-7-13(8-4-11)15-17-21-22-18-15)2-12-5-9-14(10-6-12)16-19-23-24-20-16/h3-10H,1-2H2,(H,17,18,21,22)(H,19,20,23,24)
InChIKeyXETZIUSUSABOEM-UHFFFAOYSA-N
XLogP1.83
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 175020702
CID 175020702
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
CID 143142756
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
5-(4-ethylsulfanylphenyl)-2H-tetrazole
CID 82650245
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
5-[4-(1H-imidazol-2-yl)phenyl]-2H-tetrazole
CID 123654814
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole (CID 15279617) is 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole is c1cc(-c2nn[nH]n2)ccc1CCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole?
The InChIKey is XETZIUSUSABOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1(11-3-7-13(8-4-11)15-17-21-22-18-15)2-12-5-9-14(10-6-12)16-19-23-24-20-16/h3-10H,1-2H2,(H,17,18,21,22)(H,19,20,23,24).
What are the key properties of 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole?
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole has a molecular weight of 318.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 15279617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).