ethyl 2-ethyltetrazole-5-carboxylate

C6H10N4O2 — CID 150697621

IUPACethyl 2-ethyltetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(CC)n1
InChIInChI=1S/C6H10N4O2/c1-3-10-8-5(7-9-10)6(11)12-4-2/h3-4H2,1-2H3
InChIKeyJLEILJRPJBIRQY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.13
Rot. Bonds3

About ethyl 2-ethyltetrazole-5-carboxylate

ethyl 2-ethyltetrazole-5-carboxylate (PubChem CID 150697621) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-ethyltetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyltetrazole-5-carboxylate
PubChem CID150697621
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Nameethyl 2-ethyltetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(CC)n1
InChIInChI=1S/C6H10N4O2/c1-3-10-8-5(7-9-10)6(11)12-4-2/h3-4H2,1-2H3
InChIKeyJLEILJRPJBIRQY-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1H-tetrazole-5-carboxylate sodium salt
CID 10888256
ethyl 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carboxylate
CID 122155747
Ethyl 5-methyl-2h-tetrazol-2-ylacetate
CID 23260917
Ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate
CID 67175943
Ethyl 2-(difluoromethyl)tetrazole-5-carboxylate
CID 177777770
2-Acetyl-5-ethoxycarbonyltetrazole
CID 13438905
2-Hydroxy-2H-tetrazole-5-carboxylic acid ethyl ester
CID 11768830
Ethyl 2-methyl-2H-tetrazole-5-carboxylate
CID 13824172
2-Methyl-2h-tetrazole-5-carboxylic acid methyl ester
CID 15098928
2-(Methoxymethyl)tetrazole-5-carboxylic acid
CID 21972722
2-Ethyltetrazole-5-carboxylic acid
CID 55300058
Ethyl 2-(5-tert-butyltetrazol-2-yl)acetate
CID 57896497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyltetrazole-5-carboxylate?
The IUPAC name of ethyl 2-ethyltetrazole-5-carboxylate (CID 150697621) is ethyl 2-ethyltetrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyltetrazole-5-carboxylate?
The canonical SMILES for ethyl 2-ethyltetrazole-5-carboxylate is CCOC(=O)c1nnn(CC)n1.
What is the InChIKey of ethyl 2-ethyltetrazole-5-carboxylate?
The InChIKey is JLEILJRPJBIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-10-8-5(7-9-10)6(11)12-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyltetrazole-5-carboxylate?
ethyl 2-ethyltetrazole-5-carboxylate has a molecular weight of 170.17 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyltetrazole-5-carboxylate is sourced from PubChem (CID 150697621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).