2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one

C19H24N4O2 — CID 44539766

IUPAC2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
InChIKeyQDPDRXXIJJDDNM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.61
Rot. Bonds3

About 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one

2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one (PubChem CID 44539766) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
PubChem CID44539766
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
InChIKeyQDPDRXXIJJDDNM-UHFFFAOYSA-N
XLogP1.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one (CID 44539766) is 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one is CC(C)N1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1.
What is the InChIKey of 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one?
The InChIKey is QDPDRXXIJJDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one?
2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 44539766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).