2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole

C19H24N6O — CID 53182311

IUPAC2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2nnc(N3CCN(CC(C)C)CC3)c3ccccc23)o1
InChIInChI=1S/C19H24N6O/c1-13(2)12-24-8-10-25(11-9-24)18-16-7-5-4-6-15(16)17(21-22-18)19-23-20-14(3)26-19/h4-7,13H,8-12H2,1-3H3
InChIKeyHCCWAVSOXJUOHQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds4

About 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole

2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole (PubChem CID 53182311) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole
PubChem CID53182311
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2nnc(N3CCN(CC(C)C)CC3)c3ccccc23)o1
InChIInChI=1S/C19H24N6O/c1-13(2)12-24-8-10-25(11-9-24)18-16-7-5-4-6-15(16)17(21-22-18)19-23-20-14(3)26-19/h4-7,13H,8-12H2,1-3H3
InChIKeyHCCWAVSOXJUOHQ-UHFFFAOYSA-N
XLogP2.77
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole (CID 53182311) is 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole is Cc1nnc(-c2nnc(N3CCN(CC(C)C)CC3)c3ccccc23)o1.
What is the InChIKey of 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is HCCWAVSOXJUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)12-24-8-10-25(11-9-24)18-16-7-5-4-6-15(16)17(21-22-18)19-23-20-14(3)26-19/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole?
2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 352.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53182311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).