3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C12H18N4O2 — CID 60759383

IUPAC3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C12H18N4O2/c1-8-9(2)13-14-11(17)10(8)12(18)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H,14,17)
InChIKeyNJOOXZUSHCATTJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.23
Rot. Bonds1

About 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 60759383) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID60759383
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C12H18N4O2/c1-8-9(2)13-14-11(17)10(8)12(18)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H,14,17)
InChIKeyNJOOXZUSHCATTJ-UHFFFAOYSA-N
XLogP-0.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 60759383) is 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCN(C)CC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is NJOOXZUSHCATTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-9(2)13-14-11(17)10(8)12(18)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H,14,17).
What are the key properties of 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 250.30 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 60759383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).