3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione

C10H9ClN6O2 — CID 102918947

IUPAC3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(Cl)nc3ncnn23)C1=O
InChIInChI=1S/C10H9ClN6O2/c1-16-8(18)2-5(9(16)19)14-7-3-6(11)15-10-12-4-13-17(7)10/h3-5,14H,2H2,1H3
InChIKeyUJCKCXJHDAVBDH-UHFFFAOYSA-N
MW280.68 g/mol
LogP-0.05
Rot. Bonds2

About 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 102918947) has the molecular formula C10H9ClN6O2 and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID102918947
Molecular FormulaC10H9ClN6O2
Molecular Weight280.68 g/mol
Exact Mass280.05
IUPAC Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(Cl)nc3ncnn23)C1=O
InChIInChI=1S/C10H9ClN6O2/c1-16-8(18)2-5(9(16)19)14-7-3-6(11)15-10-12-4-13-17(7)10/h3-5,14H,2H2,1H3
InChIKeyUJCKCXJHDAVBDH-UHFFFAOYSA-N
XLogP-0.05
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 5-0.05
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

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 102918953
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345012
3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 80951811
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
CID 114179137
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918894
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133338490

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 102918947) is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2cc(Cl)nc3ncnn23)C1=O.
What is the InChIKey of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is UJCKCXJHDAVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O2/c1-16-8(18)2-5(9(16)19)14-7-3-6(11)15-10-12-4-13-17(7)10/h3-5,14H,2H2,1H3.
What are the key properties of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 280.68 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 102918947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).