1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione

C13H14N6O2 — CID 61166939

IUPAC1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cccnc2-n2cncn2)C1=O
InChIInChI=1S/C13H14N6O2/c1-2-18-11(20)6-10(13(18)21)17-9-4-3-5-15-12(9)19-8-14-7-16-19/h3-5,7-8,10,17H,2,6H2,1H3
InChIKeyKBOOJZSEFMLLSF-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.22
Rot. Bonds4

About 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione

1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione (PubChem CID 61166939) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione
PubChem CID61166939
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cccnc2-n2cncn2)C1=O
InChIInChI=1S/C13H14N6O2/c1-2-18-11(20)6-10(13(18)21)17-9-4-3-5-15-12(9)19-8-14-7-16-19/h3-5,7-8,10,17H,2,6H2,1H3
InChIKeyKBOOJZSEFMLLSF-UHFFFAOYSA-N
XLogP0.22
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione (CID 61166939) is 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2cccnc2-n2cncn2)C1=O.
What is the InChIKey of 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione?
The InChIKey is KBOOJZSEFMLLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-2-18-11(20)6-10(13(18)21)17-9-4-3-5-15-12(9)19-8-14-7-16-19/h3-5,7-8,10,17H,2,6H2,1H3.
What are the key properties of 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione?
1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione has a molecular weight of 286.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61166939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).