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CAS 259794-08-6

Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

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Moehs Group, a reference company in the production of pharmaceutical active ingredients.

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CHEMISTRY

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Chemistry

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Also known as: Schembl5269578

Molecular Formula

C₆H₈N₄O₂

Molecular Weight

168.15 g/mol

InChI Key

LTJNYEDZPAXQLC-UHFFFAOYSA-N

CAS 259794-08-6

1 2D Structure

CAS 259794-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-amino-3-methoxypyrazine-2-carboxamide

2.1.2 InChI

InChI=1S/C6H8N4O2/c1-12-6-4(5(8)11)10-3(7)2-9-6/h2H,1H3,(H2,7,10)(H2,8,11)

2.1.3 InChI Key

LTJNYEDZPAXQLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=NC=C(N=C1C(=O)N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl5269578

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₄O₂
Molecular Weight	168.15 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	168.06472551 g/mol
Monoisotopic Mass	168.06472551 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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

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