ethyl 1-methyl-1H-1,2,3,4-tetrazole-5-carboxylate - CAS 91616-41-0

Catalog:	BB040278
Product Name:	ethyl 1-methyl-1H-1,2,3,4-tetrazole-5-carboxylate
CAS:	91616-41-0
Synonyms:	1-methyl-5-tetrazolecarboxylic acid ethyl ester; ethyl 1-methyltetrazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-methyltetrazole-5-carboxylate
Description:	ethyl 1-methyl-1H-1,2,3,4-tetrazole-5-carboxylate (CAS# 91616-41-0 ) is a useful research chemical.
Molecular Weight:	156.145
Molecular Formula:	C5H8N4O2
Canonical SMILES:	CCOC(=O)C1=NN=NN1C
InChI:	InChI=1S/C5H8N4O2/c1-3-11-5(10)4-6-7-8-9(4)2/h3H2,1-2H3
InChI Key:	JMPPMYKMIXZZRM-UHFFFAOYSA-N
LogP:	-0.61320

Publication Number	Title	Priority Date
TW-202019406-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrole, their analogues and methods of using them	20180727
CN-112638376-A	Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof	20180727
KR-20210039417-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrolysine, analogs thereof, and methods of use thereof	20180727
US-2021179557-A1	Substituted tetrahydrocyclopenta[c]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same	20180727
US-2020282016-A1	Endoparasitic Depsipeptides	20171129

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Related Functional Groups

Triazole/Tetrazole

[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[1798723-20-2]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
[1798731-93-7]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.06472551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.06472551
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1