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N-(2-Aminoethyl)-4H-1,2,4-triazole-3-carboxamide

N-(2-Aminoethyl)-4H-1,2,4-triazole-3-carboxamide - CAS 817172-34-2

Catalog:	BB052779
Product Name:	N-(2-Aminoethyl)-4H-1,2,4-triazole-3-carboxamide
CAS:	817172-34-2
Synonyms:	N-(2-aminoethyl)-1H-1,2,4-triazole-3-carboxamide; 1H-[1,2,4]Triazole-3-carboxylic acid (2-amino-ethyl)-amide; 1h-[1,2,4]triazole-3-carboxylic acid (2-aminoethyl)amide

Technical Data

Computed Properties

IUPAC Name:	N-(2-aminoethyl)-1H-1,2,4-triazole-5-carboxamide
Molecular Weight:	155.16
Molecular Formula:	C5H9N5O
Canonical SMILES:	C1=NNC(=N1)C(=O)NCCN
InChI:	InChI=1S/C5H9N5O/c6-1-2-7-5(11)4-8-3-9-10-4/h3H,1-2,6H2,(H,7,11)(H,8,9,10)
InChI Key:	VHQCYDFPLQULCB-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

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1-Cyclopentyl-1H-pyrazole-3,5-diamine
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2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.08070993
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	155.08070993
Rotatable Bond Count:	3
Topological Polar Surface Area:	96.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3