Enpp-1-IN-2

CAT: 0607-BA8179-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA8179-25Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2378640-92-5

Form

A solid

Molecular Formula

C15H18N6

Molecular Weight

282.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

ENPP1 Inhibitor C

CAS Number	2378640-92-5
PubChem CID	156589002
IUPAC Name	6-[(3-aminophenyl)methyl]-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular Formula	C15H18N6
Molecular Weight	282.34
XLogP	2.2
Topological Polar Surface Area	72.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	349

SMILES

CC1=NC2=NC=NN2C(=C1CC3=CC(=CC=C3)N)N(C)C

InChI

InChI=1S/C15H18N6/c1-10-13(8-11-5-4-6-12(16)7-11)14(20(2)3)21-15(19-10)17-9-18-21/h4-7,9H,8,16H2,1-3H3

InChIKey

VUDSCOCEYOZLJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2378640-92-5

CID: 156589002

Formula: C15H18N6

MW: 282.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.34
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	282.15929460
Monoisotopic Mass	282.15929460
Topological Polar Surface Area	72.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	349
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