Rizatriptan Impurity 11

CAT: 1299-RM-R260111-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R260111-02Size:25 mg

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CAS Number

119192-10-8

Synonyms

4- ((1H-1,2,4-triazol-1-yl) methyl) aniline

Molecular Formula

C9H10N4

Molecular Weight

174.2

Target Alternative Name

Rizatriptan

Product Name Synonym

4- ((1H-1,2,4-triazol-1-yl) methyl) aniline

Chemical Information

1-(4-Aminobenzyl)-1,2,4-triazole

CAS Number	119192-10-8
PubChem CID	821219
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)aniline
Molecular Formula	C9H10N4
Molecular Weight	174.20
XLogP	0.2
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

C1=CC(=CC=C1CN2C=NC=N2)N

InChI

InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2

InChIKey

ZGLQVRIVLWGDNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119192-10-8

CID: 821219

Formula: C9H10N4

MW: 174.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.20
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	174.090546336
Monoisotopic Mass	174.090546336
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
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