1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6-aminopyridin-3-yl)-(4-ethylpiperazin-1-yl)methanone

2.1.2 InChI

InChI=1S/C12H18N4O/c1-2-15-5-7-16(8-6-15)12(17)10-3-4-11(13)14-9-10/h3-4,9H,2,5-8H2,1H3,(H2,13,14)

2.1.3 InChI Key

ZUNLIVVWFDQFJW-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1275904-70-5

2. (6-aminopyridin-3-yl)(4-ethylpiperazin-1-yl)methanone

3. Chembl4546232

4. Schembl18822758

5. Akos006054697

6. Db-102327

7. Cs-0284676

8. En300-181704

9. A1-80448

2.3 Create Date

2012-01-24

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈N₄O
Molecular Weight	234.30 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	62.5
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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

CAS 1275904-70-5