2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione

C15H16N4O2 — CID 97286906

IUPAC2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(C)c1n[nH]c([C@@H](C)N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-8(2)12-16-13(18-17-12)9(3)19-14(20)10-6-4-5-7-11(10)15(19)21/h4-9H,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyRAHIDRLHQACNEJ-SECBINFHSA-N
MW284.32 g/mol
LogP2.29
Rot. Bonds3

About 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione

2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 97286906) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
PubChem CID97286906
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(C)c1n[nH]c([C@@H](C)N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-8(2)12-16-13(18-17-12)9(3)19-14(20)10-6-4-5-7-11(10)15(19)21/h4-9H,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyRAHIDRLHQACNEJ-SECBINFHSA-N
XLogP2.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
CID 154652840
CID 163871249
CID 163871249
2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 19761179
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
ethyl 2-phenyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetate
CID 79474304
2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
CID 18477617
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
potassium 1-(1,3-dioxoisoindol-2-yl)ethanesulfonate
CID 140883913
2-[1-(4-bromoisoquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 67516756

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione (CID 97286906) is 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione is CC(C)c1n[nH]c([C@@H](C)N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is RAHIDRLHQACNEJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8(2)12-16-13(18-17-12)9(3)19-14(20)10-6-4-5-7-11(10)15(19)21/h4-9H,1-3H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione?
2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 284.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 97286906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).