KDM4D-IN-1 5mg

CAT: 0628-A19545-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A19545-5Size:5 mg

Selected

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

Quick Request Actions

CAS Number

2098902-68-0

Chemical Information

Kdm4D-IN-1

CAS Number	2098902-68-0
PubChem CID	137174251
IUPAC Name	4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile
Molecular Formula	C11H7N5O
Molecular Weight	225.21
XLogP	0.5
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	389

SMILES

CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3

InChI

InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)

InChIKey

FIRSAIIBSBCBTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2098902-68-0

CID: 137174251

Formula: C11H7N5O

MW: 225.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.21
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	225.06505986
Monoisotopic Mass	225.06505986
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	389
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