Home Carboxys 3-(isopropylamino)pyridazine-4-carboxylic acid

3-(isopropylamino)pyridazine-4-carboxylic acid

CAS No.:
1525619-02-6
Catalog Number:
AG01BTN8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
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Product Description
Catalog Number:
AG01BTN8
Chemical Name:
3-(isopropylamino)pyridazine-4-carboxylic acid
CAS Number:
1525619-02-6
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD23923657
IUPAC Name:
3-(propan-2-ylamino)pyridazine-4-carboxylic acid
InChI:
InChI=1S/C8H11N3O2/c1-5(2)10-7-6(8(12)13)3-4-9-11-7/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChI Key:
YCBZSTJSPKGXCR-UHFFFAOYSA-N
SMILES:
CC(Nc1nnccc1C(=O)O)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties