Rizatriptan Impurity 29

CAT: 1299-RM-R260129-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R260129-02Size:25 mg

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

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CAS Number

144035-23-4

Synonyms

2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -1H-indol-3-yl) ethan-1-amine

Molecular Formula

C13H15N5

Molecular Weight

241.3

Target Alternative Name

Rizatriptan

Product Name Synonym

2- (5- ((1H-1,2,4-triazol-1-yl) methyl) -1H-indol-3-yl) ethan-1-amine

Chemical Information

5-(1H-1,2,4-Triazol-1-ylmethyl)-1H-indole-3-ethanamine

CAS Number	144035-23-4
PubChem CID	10171433
IUPAC Name	2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
Molecular Formula	C13H15N5
Molecular Weight	241.29
XLogP	1
Topological Polar Surface Area	72.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	272

SMILES

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CCN

InChI

InChI=1S/C13H15N5/c14-4-3-11-6-16-13-2-1-10(5-12(11)13)7-18-9-15-8-17-18/h1-2,5-6,8-9,16H,3-4,7,14H2

InChIKey

ICKCDMQZVXCGLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 144035-23-4

CID: 10171433

Formula: C13H15N5

MW: 241.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.29
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	241.13274550
Monoisotopic Mass	241.13274550
Topological Polar Surface Area	72.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	272
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