2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-(3-methyl-1-pyrazolyl)ethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C14H21N6O+ MolecularWeight: 289.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=NN(C=C1)CCN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H20N6O/c1-12-2-5-19(17-12)8-9-20-14(21)10-13(11-16-20)18-6-3-15-4-7-18/h2,5,10-11,15H,3-4,6-9H2,1H3/p+1