5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

C11H12N8 — CID 653811

IUPAC5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCCc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1
InChIInChI=1S/C11H12N8/c1-2-8-3-5-9(6-4-8)11-14-18-19(15-11)7-10-12-16-17-13-10/h3-6H,2,7H2,1H3,(H,12,13,16,17)
InChIKeyAGZQPXOKARTYDZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.46
Rot. Bonds4

About 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 653811) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID653811
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCCc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1
InChIInChI=1S/C11H12N8/c1-2-8-3-5-9(6-4-8)11-14-18-19(15-11)7-10-12-16-17-13-10/h3-6H,2,7H2,1H3,(H,12,13,16,17)
InChIKeyAGZQPXOKARTYDZ-UHFFFAOYSA-N
XLogP0.46
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5,5'-(1,3-Phenylene)bis(1H-1,2,3,4-tetrazole)
CID 4058493
5-(4-{[5-(2-methylphenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 973145
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
CID 858905
5-[4'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-1H-1,2,3,4-tetrazole
CID 59248649
5-[4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
CID 280939
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
3-[5-(4-Propan-2-ylphenyl)tetrazol-2-yl]propanenitrile
CID 3184587

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (CID 653811) is 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is CCc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is AGZQPXOKARTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-2-8-3-5-9(6-4-8)11-14-18-19(15-11)7-10-12-16-17-13-10/h3-6H,2,7H2,1H3,(H,12,13,16,17).
What are the key properties of 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 256.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 653811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).