2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide

C18H23N5O2 — CID 131922833

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCn1cnnc1CNC(=O)C(CC)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H23N5O2/c1-3-9-22-12-20-21-16(22)10-19-17(24)15(4-2)23-11-13-7-5-6-8-14(13)18(23)25/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,24)
InChIKeyVOCGHSQAAGQOPJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.74
Rot. Bonds7

About 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide

2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 131922833) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID131922833
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCn1cnnc1CNC(=O)C(CC)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H23N5O2/c1-3-9-22-12-20-21-16(22)10-19-17(24)15(4-2)23-11-13-7-5-6-8-14(13)18(23)25/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,24)
InChIKeyVOCGHSQAAGQOPJ-UHFFFAOYSA-N
XLogP1.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide (CID 131922833) is 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide is CCCn1cnnc1CNC(=O)C(CC)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is VOCGHSQAAGQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-9-22-12-20-21-16(22)10-19-17(24)15(4-2)23-11-13-7-5-6-8-14(13)18(23)25/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,24).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide?
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 341.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 131922833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).