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Home > Pyridines > 1193388-38-3
1193388-38-3 | 1-(piperidin-4-yl)-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyridazine-4,7-dione hydrochloride
CAS No: 1193388-38-3 Catalog No: AG019W20 MDL No:MFCD12912818
Product Description
Catalog Number:
AG019W20
Chemical Name:
1-(piperidin-4-yl)-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyridazine-4,7-dione hydrochloride
CAS Number:
1193388-38-3
Molecular Formula:
C9H13ClN6O2
Molecular Weight:
272.6915
MDL Number:
MFCD12912818
IUPAC Name:
3-piperidin-4-yl-5,6-dihydrotriazolo[4,5-d]pyridazine-4,7-dione;hydrochloride
InChI:
InChI=1S/C9H12N6O2.ClH/c16-8-6-7(9(17)13-12-8)15(14-11-6)5-1-3-10-4-2-5;/h5,10H,1-4H2,(H,12,16)(H,13,17);1H
InChI Key:
JYYRGPHIKISBFO-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)c2c1n(nn2)C1CCNCC1.Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
272.693g/mol
Monoisotopic Mass:
272.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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