6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide

C16H17N5O3 — CID 594796

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ncn[nH]1
InChIInChI=1S/C16H17N5O3/c22-13(19-16-17-10-18-20-16)8-2-1-5-9-21-14(23)11-6-3-4-7-12(11)15(21)24/h3-4,6-7,10H,1-2,5,8-9H2,(H2,17,18,19,20,22)
InChIKeyOUNHFYFDOWHUBZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.60
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide (PubChem CID 594796) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
PubChem CID594796
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ncn[nH]1
InChIInChI=1S/C16H17N5O3/c22-13(19-16-17-10-18-20-16)8-2-1-5-9-21-14(23)11-6-3-4-7-12(11)15(21)24/h3-4,6-7,10H,1-2,5,8-9H2,(H2,17,18,19,20,22)
InChIKeyOUNHFYFDOWHUBZ-UHFFFAOYSA-N
XLogP1.60
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide (CID 594796) is 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ncn[nH]1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The InChIKey is OUNHFYFDOWHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-13(19-16-17-10-18-20-16)8-2-1-5-9-21-14(23)11-6-3-4-7-12(11)15(21)24/h3-4,6-7,10H,1-2,5,8-9H2,(H2,17,18,19,20,22).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide has a molecular weight of 327.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide is sourced from PubChem (CID 594796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).