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

C9H10N4 — CID 647221

IUPAC5-(4-ethylphenyl)-2H-tetrazole
SMILESCCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4/c1-2-7-3-5-8(6-4-7)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyGPUFQRODCMRUHK-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.43
Rot. Bonds2

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

5-(4-ethylphenyl)-2H-tetrazole (PubChem CID 647221) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2H-tetrazole
PubChem CID647221
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(4-ethylphenyl)-2H-tetrazole
SMILESCCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4/c1-2-7-3-5-8(6-4-7)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyGPUFQRODCMRUHK-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-1H-tetrazole
CID 87425
5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole
CID 706933
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
CID 342565
5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
CID 620220
5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5-Styryl-1H-tetrazole
CID 5795731
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
3-(Tetrazol-5-yl)phenylboronic acid
CID 46737996
5-(m-Tolyl)-1H-tetrazole
CID 583308

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-ethylphenyl)-2H-tetrazole (CID 647221) is 5-(4-ethylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-ethylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-ethylphenyl)-2H-tetrazole is CCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2H-tetrazole?
The InChIKey is GPUFQRODCMRUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-7-3-5-8(6-4-7)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 5-(4-ethylphenyl)-2H-tetrazole?
5-(4-ethylphenyl)-2H-tetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2H-tetrazole is sourced from PubChem (CID 647221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).