2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C16H24N6O3 — CID 56799883

IUPAC2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)c1noc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N6O3/c1-11(2)15-17-13(25-19-15)10-21-6-8-22(9-7-21)16(24)12-4-5-14(23)20(3)18-12/h11H,4-10H2,1-3H3
InChIKeyLMSZJTQOZJWDJF-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.45
Rot. Bonds4

About 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 56799883) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID56799883
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)c1noc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N6O3/c1-11(2)15-17-13(25-19-15)10-21-6-8-22(9-7-21)16(24)12-4-5-14(23)20(3)18-12/h11H,4-10H2,1-3H3
InChIKeyLMSZJTQOZJWDJF-UHFFFAOYSA-N
XLogP0.45
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 56799883) is 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is CC(C)c1noc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is LMSZJTQOZJWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-11(2)15-17-13(25-19-15)10-21-6-8-22(9-7-21)16(24)12-4-5-14(23)20(3)18-12/h11H,4-10H2,1-3H3.
What are the key properties of 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 348.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 56799883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).