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

C6H10N4O2 — CID 14960463

IUPAC2-(5-methyltetrazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1nnnc1C
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)3-4-12-6(2)11/h3-4H2,1-2H3
InChIKeyUVEKIZKHVYFOHB-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.46
Rot. Bonds3

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

2-(5-methyltetrazol-1-yl)ethyl acetate (PubChem CID 14960463) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)ethyl acetate
PubChem CID14960463
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(5-methyltetrazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1nnnc1C
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)3-4-12-6(2)11/h3-4H2,1-2H3
InChIKeyUVEKIZKHVYFOHB-UHFFFAOYSA-N
XLogP-0.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(5-methyltetrazol-1-yl)acetate
CID 1505264
(5-methyl-1H-tetrazol-1-yl)acetic acid
CID 5077792
2-[5-[Amino(methyl)amino]tetrazol-1-yl]ethyl acetate
CID 25209478
Methyl 5-methyl-1-tetrazolylacetate
CID 57940574
Methyl 2-[5-(trifluoromethyl)tetrazol-1-yl]acetate
CID 37818633
Ethyl 2-[5-(trifluoromethyl)tetrazol-1-yl]acetate
CID 141719856
Ethyl 2-[5-(difluoromethyl)tetrazol-1-yl]acetate
CID 165139363
Ethyl 1-(2,2,2-trifluoroethyl)tetrazole-5-carboxylate
CID 79317368
Ethyl 1-[2-(trifluoromethoxy)ethyl]tetrazole-5-carboxylate
CID 79317698
Ethyl 1-(3,3,3-trifluoropropyl)tetrazole-5-carboxylate
CID 79317844
Ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazole-5-carboxylate
CID 79318235
Ethyl 1-(2,2-difluoroethyl)tetrazole-5-carboxylate
CID 79318322

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5-methyltetrazol-1-yl)ethyl acetate (CID 14960463) is 2-(5-methyltetrazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)ethyl acetate is CC(=O)OCCn1nnnc1C.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)ethyl acetate?
The InChIKey is UVEKIZKHVYFOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)3-4-12-6(2)11/h3-4H2,1-2H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)ethyl acetate?
2-(5-methyltetrazol-1-yl)ethyl acetate has a molecular weight of 170.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)ethyl acetate is sourced from PubChem (CID 14960463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).