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2059908-10-8 | 2-methyl-5-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-octahydropyrrolo[3,4-c]pyrrole, cis
CAS No: 2059908-10-8 Catalog No: AG01C0IX MDL No:MFCD30535680
Product Description
Catalog Number:
AG01C0IX
Chemical Name:
2-methyl-5-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-octahydropyrrolo[3,4-c]pyrrole, cis
CAS Number:
2059908-10-8
Molecular Formula:
C14H21N5
Molecular Weight:
259.3500
MDL Number:
MFCD30535680
IUPAC Name:
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
InChI:
InChI=1S/C14H21N5/c1-18-6-11-8-19(9-12(11)7-18)14-4-10-5-15-3-2-13(10)16-17-14/h4,11-12,15H,2-3,5-9H2,1H3/t11-,12+
InChI Key:
WYIISMMUPZQSAT-TXEJJXNPSA-N
SMILES:
CN1C[C@@H]2[C@H](C1)CN(C2)c1nnc2c(c1)CNCC2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.18g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.357g/mol
Monoisotopic Mass:
259.18g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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