Trapidil Impurity 2

CAT: 1299-RM-T010902-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T010902-01Size:10 mg

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CAS Number

24415-66-5

Synonyms

7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Molecular Formula

C6H5ClN4

Molecular Weight

168.58

Target Alternative Name

Trapidil

Product Name Synonym

7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Chemical Information

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

CAS Number	24415-66-5
PubChem CID	520127
IUPAC Name	7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Molecular Formula	C6H5ClN4
Molecular Weight	168.58
XLogP	1.5
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	154

SMILES

CC1=NC2=NC=NN2C(=C1)Cl

InChI

InChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3

InChIKey

NOIPEBKPGPZXNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24415-66-5

CID: 520127

Formula: C6H5ClN4

MW: 168.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.58
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	168.0202739
Monoisotopic Mass	168.0202739
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
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

Catalog	Name
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