1-(2-methyltetrazol-5-yl)ethyl acetate

C6H10N4O2 — CID 123428581

IUPAC1-(2-methyltetrazol-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-4(12-5(2)11)6-7-9-10(3)8-6/h4H,1-3H3
InChIKeyZCMZVJHDMHUQAH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.17
Rot. Bonds2

About 1-(2-methyltetrazol-5-yl)ethyl acetate

1-(2-methyltetrazol-5-yl)ethyl acetate (PubChem CID 123428581) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)ethyl acetate
PubChem CID123428581
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-(2-methyltetrazol-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-4(12-5(2)11)6-7-9-10(3)8-6/h4H,1-3H3
InChIKeyZCMZVJHDMHUQAH-UHFFFAOYSA-N
XLogP-0.17
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(2-Methyl-2H-tetrazol-5-yl)acetate
CID 283421
Ethyl 5-methyl-2h-tetrazol-2-ylacetate
CID 23260917
Ethyl 2-(2-ethyltetrazol-5-yl)acetate
CID 13297533
Ethyl 2-methyl-2H-tetrazole-5-carboxylate
CID 13824172
Methyl 2-(5-ethyltetrazol-2-yl)acetate
CID 59069151
Ethyl 2-(methoxymethyl)tetrazole-5-carboxylate
CID 69141056
Methyl 2-(5-propyltetrazol-2-yl)acetate
CID 89359073
Ethyl 2-(5-ethyltetrazol-2-yl)acetate
CID 89390857
ethyl 2-butyl-2H-tetrazole-5-carboxylate
CID 90325867
Ethyl 2-[5-(2-oxoethyl)tetrazol-2-yl]acetate
CID 91615343
Ethyl 2-ethyltetrazole-5-carboxylate
CID 150697621
2-Methyl-5-(propan-2-yloxymethyl)tetrazole
CID 155023159

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)ethyl acetate?
The IUPAC name of 1-(2-methyltetrazol-5-yl)ethyl acetate (CID 123428581) is 1-(2-methyltetrazol-5-yl)ethyl acetate.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)ethyl acetate?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)ethyl acetate is CC(=O)OC(C)c1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)ethyl acetate?
The InChIKey is ZCMZVJHDMHUQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(12-5(2)11)6-7-9-10(3)8-6/h4H,1-3H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)ethyl acetate?
1-(2-methyltetrazol-5-yl)ethyl acetate has a molecular weight of 170.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)ethyl acetate is sourced from PubChem (CID 123428581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).