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1105197-41-8 | 4-cyclopropyl-1-phenyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 1105197-41-8 Catalog No: AG01AROL MDL No:MFCD11986575
Product Description
Catalog Number:
AG01AROL
Chemical Name:
4-cyclopropyl-1-phenyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
1105197-41-8
Molecular Formula:
C14H12N4O
Molecular Weight:
252.2713
MDL Number:
MFCD11986575
IUPAC Name:
4-cyclopropyl-1-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C14H12N4O/c19-14-13-11(12(16-17-14)9-6-7-9)8-15-18(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChI Key:
IUFNKCFWONBAPP-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1n(nc2)c1ccccc1)C1CC1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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