4-Amino-3,5-dimethyl-1,2,4-triazole - CAS 3530-15-2

Catalog:	BB047005
Product Name:	4-Amino-3,5-dimethyl-1,2,4-triazole
CAS:	3530-15-2
Synonyms:	3,5-Dimethyl-4H-1,2,4-triazol-4-amine; 4H-1,2,4-Triazol-4-amine, 3,5-dimethyl-; NSC-23773

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3,5-dimethyl-1,2,4-triazol-4-amine
Description:	4-Amino-3,5-dimethyl-1,2,4-triazole (CAS# 3530-15-2 ) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C4H8N4
Canonical SMILES:	CC1=NN=C(N1N)C
InChI:	InChI=1S/C4H8N4/c1-3-6-7-4(2)8(3)5/h5H2,1-2H3
InChI Key:	MIIKMZAVLKMOFM-UHFFFAOYSA-N
Boiling Point:	300.7 °C at 760 mmHg
Melting Point:	196-199 °C
Purity:	98 % by GC
Density:	1.34 g/cm³

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Related Functional Groups

Amines and Anilines

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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
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2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.074896272
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.074896272
Rotatable Bond Count:	0
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0