2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione

C18H14N4O2 — CID 165134144

IUPAC2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccc(C3CC3)cn2n1
InChIInChI=1S/C18H14N4O2/c23-17-13-3-1-2-4-14(13)18(24)21(17)10-15-19-16-8-7-12(11-5-6-11)9-22(16)20-15/h1-4,7-9,11H,5-6,10H2
InChIKeyODXWEYNJNNTGDQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.40
Rot. Bonds3

About 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione

2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 165134144) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
PubChem CID165134144
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccc(C3CC3)cn2n1
InChIInChI=1S/C18H14N4O2/c23-17-13-3-1-2-4-14(13)18(24)21(17)10-15-19-16-8-7-12(11-5-6-11)9-22(16)20-15/h1-4,7-9,11H,5-6,10H2
InChIKeyODXWEYNJNNTGDQ-UHFFFAOYSA-N
XLogP2.40
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione (CID 165134144) is 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccc(C3CC3)cn2n1.
What is the InChIKey of 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is ODXWEYNJNNTGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17-13-3-1-2-4-14(13)18(24)21(17)10-15-19-16-8-7-12(11-5-6-11)9-22(16)20-15/h1-4,7-9,11H,5-6,10H2.
What are the key properties of 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 318.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 165134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).