3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C13H22N4O2 — CID 61245068

IUPAC3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)17-8-6-16(7-9-17)12(19)10-4-5-11(18)15-14-10/h4-9H2,1-3H3,(H,15,18)
InChIKeyQMEYSHGKDIPVRI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.20
Rot. Bonds1

About 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 61245068) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID61245068
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)17-8-6-16(7-9-17)12(19)10-4-5-11(18)15-14-10/h4-9H2,1-3H3,(H,15,18)
InChIKeyQMEYSHGKDIPVRI-UHFFFAOYSA-N
XLogP0.20
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 61245068) is 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC(C)(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is QMEYSHGKDIPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)17-8-6-16(7-9-17)12(19)10-4-5-11(18)15-14-10/h4-9H2,1-3H3,(H,15,18).
What are the key properties of 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 61245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).