3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C18H18N6O2 — CID 133345012

IUPAC3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cc(-c3ccccc3)nc3ncnn23)C1=O
InChIInChI=1S/C18H18N6O2/c1-11(2)23-16(25)9-14(17(23)26)21-15-8-13(12-6-4-3-5-7-12)22-18-19-10-20-24(15)18/h3-8,10-11,14,21H,9H2,1-2H3
InChIKeyNIWDIWCWSKGRGR-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.74
Rot. Bonds4

About 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 133345012) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID133345012
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cc(-c3ccccc3)nc3ncnn23)C1=O
InChIInChI=1S/C18H18N6O2/c1-11(2)23-16(25)9-14(17(23)26)21-15-8-13(12-6-4-3-5-7-12)22-18-19-10-20-24(15)18/h3-8,10-11,14,21H,9H2,1-2H3
InChIKeyNIWDIWCWSKGRGR-UHFFFAOYSA-N
XLogP1.74
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 98212138
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7436049
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265
5-phenyl-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292343
methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 133275678
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 102918947
2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376377
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78836379
5-phenyl-N-[3-(pyrazol-1-ylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139017552
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
CID 96542349
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 133345012) is 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2cc(-c3ccccc3)nc3ncnn23)C1=O.
What is the InChIKey of 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is NIWDIWCWSKGRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11(2)23-16(25)9-14(17(23)26)21-15-8-13(12-6-4-3-5-7-12)22-18-19-10-20-24(15)18/h3-8,10-11,14,21H,9H2,1-2H3.
What are the key properties of 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 350.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 133345012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).