methyl 2-[4-(tetrazol-1-yl)phenyl]acetate

C10H10N4O2 — CID 75480942

IUPACmethyl 2-[4-(tetrazol-1-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-16-10(15)6-8-2-4-9(5-3-8)14-7-11-12-13-14/h2-5,7H,6H2,1H3
InChIKeyQZPARRTUENUTMP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-[4-(tetrazol-1-yl)phenyl]acetate

methyl 2-[4-(tetrazol-1-yl)phenyl]acetate (PubChem CID 75480942) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 2-[4-(tetrazol-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(tetrazol-1-yl)phenyl]acetate
PubChem CID75480942
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl 2-[4-(tetrazol-1-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-16-10(15)6-8-2-4-9(5-3-8)14-7-11-12-13-14/h2-5,7H,6H2,1H3
InChIKeyQZPARRTUENUTMP-UHFFFAOYSA-N
XLogP0.38
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(tetrazol-1-yl)phenyl]acetate (CID 75480942) is methyl 2-[4-(tetrazol-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(tetrazol-1-yl)phenyl]acetate is COC(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The InChIKey is QZPARRTUENUTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-10(15)6-8-2-4-9(5-3-8)14-7-11-12-13-14/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
methyl 2-[4-(tetrazol-1-yl)phenyl]acetate has a molecular weight of 218.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(tetrazol-1-yl)phenyl]acetate is sourced from PubChem (CID 75480942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).