4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one

C19H24N4O2 — CID 138472065

IUPAC4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
SMILESCc1ccccc1CN1CCN(c2cn[nH]c(=O)c2C(C)C)CC1=O
InChIInChI=1S/C19H24N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyMMBVEHUVPBRIEU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.05
Rot. Bonds4

About 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one

4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one (PubChem CID 138472065) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
PubChem CID138472065
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
SMILESCc1ccccc1CN1CCN(c2cn[nH]c(=O)c2C(C)C)CC1=O
InChIInChI=1S/C19H24N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyMMBVEHUVPBRIEU-UHFFFAOYSA-N
XLogP2.05
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one (CID 138472065) is 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one is Cc1ccccc1CN1CCN(c2cn[nH]c(=O)c2C(C)C)CC1=O.
What is the InChIKey of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is MMBVEHUVPBRIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one?
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 138472065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).