ICI 63197

CAT: 0024-sc-203600ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203600ASize:50 mg

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CAS Number

27277-00-5

Chemical Information

Ici-63197

2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is a member of triazolopyrimidines.

CAS Number	27277-00-5
PubChem CID	62824
IUPAC Name	2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Molecular Formula	C9H13N5O
Molecular Weight	207.23
XLogP	0.6
Topological Polar Surface Area	77
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	303

SMILES

CCCN1C(=O)C(=CN2C1=NC(=N2)N)C

InChI

InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)

InChIKey

UQDVRVNMIJAGRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27277-00-5

CID: 62824

Formula: C9H13N5O

MW: 207.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.23
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.11201006
Monoisotopic Mass	207.11201006
Topological Polar Surface Area	77 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	303
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
HY-103024-01	ICI-63197
452182-01	ICI 63197