5-(2-phenoxyethyl)-2H-tetrazole

C9H10N4O — CID 3054062

IUPAC5-(2-phenoxyethyl)-2H-tetrazole
SMILESc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)
InChIKeyIIBLVCJHTPHJKY-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.82
Rot. Bonds4

About 5-(2-phenoxyethyl)-2H-tetrazole

5-(2-phenoxyethyl)-2H-tetrazole (PubChem CID 3054062) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(2-phenoxyethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-phenoxyethyl)-2H-tetrazole
PubChem CID3054062
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(2-phenoxyethyl)-2H-tetrazole
SMILESc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)
InChIKeyIIBLVCJHTPHJKY-UHFFFAOYSA-N
XLogP0.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenoxy)methyl]-1H-1,2,3,4-tetrazole
CID 2990497
5-[(2-methoxyphenoxy)methyl]-1H-tetrazole
CID 5306162
5-(4-propoxybenzyl)-2H-tetrazole
CID 657685
5-[(3-methoxyphenoxy)methyl]-1H-tetrazole
CID 6472170
5-[(4-methoxyphenoxy)methyl]-2H-tetrazole
CID 5307056
5-(phenoxymethyl)-2H-1,2,3,4-tetrazole
CID 8005210
5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
CID 654997
5-[(2,4-difluorophenoxy)methyl]-1H-tetrazole
CID 2990635
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2H-tetrazole
CID 44380169
1H-Tetrazole, 5-(2-(4-chlorophenoxy)ethyl)-
CID 820572
1H-Tetrazole, 5-(2-(4-methoxyphenoxy)ethyl)-
CID 3054063
1H-Tetrazole, 5-(2-(4-methylphenoxy)ethyl)-
CID 3054064

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethyl)-2H-tetrazole?
The IUPAC name of 5-(2-phenoxyethyl)-2H-tetrazole (CID 3054062) is 5-(2-phenoxyethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-phenoxyethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-phenoxyethyl)-2H-tetrazole is c1ccc(OCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-(2-phenoxyethyl)-2H-tetrazole?
The InChIKey is IIBLVCJHTPHJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13).
What are the key properties of 5-(2-phenoxyethyl)-2H-tetrazole?
5-(2-phenoxyethyl)-2H-tetrazole has a molecular weight of 190.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethyl)-2H-tetrazole is sourced from PubChem (CID 3054062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).