SMDC818909

CAT: 0013-GTR19192617-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19192617-02Size:50 mg

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Description

SMDC818909

CAS Number

1147823-21-9

Smiles

CC=1NC=2C (=CC (NC (=O) C=3C (N) =NC=CN3) =CC2) C1

Molecular Formula

C14H13N5O

Molecular Weight

267.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

3-amino-N-(2-methyl-1H-indol-5-yl)pyrazine-2-carboxamide

CAS Number	1147823-21-9
PubChem CID	40064290
IUPAC Name	3-amino-N-(2-methyl-1H-indol-5-yl)pyrazine-2-carboxamide
Molecular Formula	C14H13N5O
Molecular Weight	267.29
XLogP	1.3
Topological Polar Surface Area	96.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	363

SMILES

CC1=CC2=C(N1)C=CC(=C2)NC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C14H13N5O/c1-8-6-9-7-10(2-3-11(9)18-8)19-14(20)12-13(15)17-5-4-16-12/h2-7,18H,1H3,(H2,15,17)(H,19,20)

InChIKey

PJTNJJWGQNSQDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1147823-21-9

CID: 40064290

Formula: C14H13N5O

MW: 267.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.29
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	267.11201006
Monoisotopic Mass	267.11201006
Topological Polar Surface Area	96.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	363
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
T34661-01	SMDC818909