Amitrole-13C2,15N2

CAT: 0024-sc-481010Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-481010Size:1 mg

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CAS Number

1346603-92-6

Chemical Information

Amitrole-13C2,15N2

CAS Number	1346603-92-6
PubChem CID	71313376
IUPAC Name	(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
Molecular Formula	C2H4N4
Molecular Weight	88.053
XLogP	-0.4
Topological Polar Surface Area	67.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

[13CH]1=[15N][15NH][13C](=N1)N

InChI

InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)/i1+1,2+1,5+1,6+1

InChIKey

KLSJWNVTNUYHDU-MAUGHLKVSA-N

Chemical Structure

2D Structure

CAS: 1346603-92-6

CID: 71313376

Formula: C2H4N4

MW: 88.053

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.053
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	88.04437560
Monoisotopic Mass	88.04437560
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44.8
Isotope Atom Count	4
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
sc-497522	Fipronil- 13C2 15N2
sc-220414	Zoledronic Acid-15N2,13C2
sc-495932	Fipronil Detrifluoromethylsulfinyl-13C2 15N2
sc-213451	1,2-Hydrazinedicarboxamide-13C2,15N2
sc-496149	Ethyl 2,3-Dicyanopropionate-13C2 15N2
sc-280824	Imidazol-1-yl-acetic Acid-15N2,13C2
sc-218477	Fialuridine-15N2,13C
sc-217855	Cefdinir-15N2,13C
sc-213039	Thiourea-13C,15N2
sc-220350	Uracil-13C,15N2