1-Methyl-3-nitro-1,2,4-triazole - CAS 26621-45-4

Catalog:	BB047398
Product Name:	1-Methyl-3-nitro-1,2,4-triazole
CAS:	26621-45-4
Synonyms:	1-methyl-3-nitro-1H-1,2,4-triazole; 3-NTR; 1H-1,2,4-Triazole, 1-methyl-3-nitro-

Technical Data

Computed Properties

IUPAC Name:	1-methyl-3-nitro-1,2,4-triazole
Description:	1-Methyl-3-nitro-1,2,4-triazole (CAS# 26621-45-4 ) is a useful research chemical.
Molecular Weight:	128.09
Molecular Formula:	C3H4N4O2
Canonical SMILES:	CN1C=NC(=N1)[N+](=O)[O-]
InChI:	InChI=1S/C3H4N4O2/c1-6-2-4-3(5-6)7(8)9/h2H,1H3
InChI Key:	DOEWLMFVRWMCGM-UHFFFAOYSA-N
Boiling Point:	337.8 °C at 760 mmHg
Density:	1.66 g/cm³

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[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

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03342538
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.03342538
Rotatable Bond Count:	0
Topological Polar Surface Area:	76.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7