1-Methyltetrazole

CAT: 1596-AR-T04723-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04723-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

16681-77-9

Molecular Formula

C2H4N4

Molecular Weight

84.08

API Name

Tetrazole

Chemical Information

1H-Tetrazole, 1-methyl-

CAS Number	16681-77-9
PubChem CID	140123
IUPAC Name	1-methyltetrazole
Molecular Formula	C2H4N4
Molecular Weight	84.08
XLogP	-0.4
Topological Polar Surface Area	43.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

CN1C=NN=N1

InChI

InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3

InChIKey

OMAFFHIGWTVZOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16681-77-9

CID: 140123

Formula: C2H4N4

MW: 84.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.08
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	84.043596145
Monoisotopic Mass	84.043596145
Topological Polar Surface Area	43.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44.8
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

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Catalog	Name
sc-264875	1-Methyltetrazole
GK5733-25g	5-Mercapto-1-methyltetrazole
81365327-25g	5-Methyltetrazole
AQ NN 0440-01	5-benzyl-1-methyltetrazole
AQ NN 0442-01	1-tert-butyl-5-methyltetrazole
AL FD 0094-01	1- (4-chlorophenyl) -5-methyltetrazole
AQ NN 0439-01	5- (2,2-dimethylpropyl) -1-methyltetrazole
AQ NN 0461-01	5-benzyl-2-methyltetrazole
sc-352622	5-[N- (3',5'-Bistrifluoromethylbenzyl) amino]-2-methyltetrazole
OF59775-01	1,1,1,1,1-Kestoheptaose