5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride

C9H16Cl2N4O — CID 174436885

IUPAC5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]nccc1CN1CCNCC1
InChIInChI=1S/C9H14N4O.2ClH/c14-9-8(1-2-11-12-9)7-13-5-3-10-4-6-13;;/h1-2,10H,3-7H2,(H,12,14);2*1H
InChIKeyFFPZOKLLDJFLDU-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.02
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride

5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride (PubChem CID 174436885) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride
PubChem CID174436885
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]nccc1CN1CCNCC1
InChIInChI=1S/C9H14N4O.2ClH/c14-9-8(1-2-11-12-9)7-13-5-3-10-4-6-13;;/h1-2,10H,3-7H2,(H,12,14);2*1H
InChIKeyFFPZOKLLDJFLDU-UHFFFAOYSA-N
XLogP0.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride (CID 174436885) is 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride is Cl.Cl.O=c1[nH]nccc1CN1CCNCC1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride?
The InChIKey is FFPZOKLLDJFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c14-9-8(1-2-11-12-9)7-13-5-3-10-4-6-13;;/h1-2,10H,3-7H2,(H,12,14);2*1H.
What are the key properties of 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride?
5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1H-pyridazin-6-one;dihydrochloride is sourced from PubChem (CID 174436885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).