Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate - CAS 86152-46-7

Catalog:	BB053026
Product Name:	Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
CAS:	86152-46-7
Synonyms:	ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate

Technical Data

Computed Properties

IUPAC Name:	ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate
Molecular Weight:	170.17
Molecular Formula:	C6H10N4O2
Canonical SMILES:	CCOC(=O)CC1=NC(=NN1)N
InChI:	InChI=1S/C6H10N4O2/c1-2-12-5(11)3-4-8-6(7)10-9-4/h2-3H2,1H3,(H3,7,8,9,10)
InChI Key:	NWORJPBMFMZKAQ-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[17583-40-3]
2-(Methylamino)benzonitrile

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.08037557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.08037557
Rotatable Bond Count:	4
Topological Polar Surface Area:	93.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2