Home Nitriles 3-[methyl(prop-2-yn-1-yl)amino]pyridazine-4-carbonitrile

3-[methyl(prop-2-yn-1-yl)amino]pyridazine-4-carbonitrile

CAS No.:
1554887-08-9
Catalog Number:
AG01BCCM
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
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Product Description
Catalog Number:
AG01BCCM
Chemical Name:
3-[methyl(prop-2-yn-1-yl)amino]pyridazine-4-carbonitrile
CAS Number:
1554887-08-9
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD24240093
IUPAC Name:
3-[methyl(prop-2-ynyl)amino]pyridazine-4-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-3-6-13(2)9-8(7-10)4-5-11-12-9/h1,4-5H,6H2,2H3
InChI Key:
AMWAJGUAYAMLIQ-UHFFFAOYSA-N
SMILES:
C#CCN(c1nnccc1C#N)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties