2H-1,2,3-Triazole

CAT: 0926-FT171052-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAS Number

288-35-7

Smiles

C1=NNN=C1

Molecular Formula

C2H3N3

Molecular Weight

69.07 g/mol

Controlled

Chemical Information

1H-1,2,3-Triazole

1H-1,2,3-triazole is a 1,2,3-triazole. It is a tautomer of a 2H-1,2,3-triazole and a 4H-1,2,3-triazole.

CAS Number	288-35-7
PubChem CID	67516
IUPAC Name	2H-triazole
Molecular Formula	C2H3N3
Molecular Weight	69.07
XLogP	-0.3
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	24

SMILES

C1=NNN=C1

InChI

InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)

InChIKey

QWENRTYMTSOGBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 288-35-7

CID: 67516

Formula: C2H3N3

MW: 69.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	69.07
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	69.032697108
Monoisotopic Mass	69.032697108
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	24.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD118856-01	5,5'-Dinitro-2H,2'H-3,3'-bi-1,2,4-triazole
LTB83682	4-Bromo-6-chloro-2H-benzo[d][1,2,3]triazole
FT00586-01	1H-1,2,3-Triazole
SCA14924-01	3- (2H-1,2,3-Triazol-2-yl) phenol
FT133965	2H-1,2,3-Triazol-4-ylmethanol
BAB24856	3- (2H-1,2,3-Trizazol-2-yl) aniline
FC20605-01	3-Cyano-1,2,4-triazole
FB34930	4-Bromo-1,2,3-triazole
FT75942-01	1,2,4-Triazole-3-carboxamide
FN26242-01	3-Nitro-1,2,4-triazole