1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione

C12H17N5O2 — CID 54885174

IUPAC1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ncn[nH]2)C(=O)N1C1CCCC1
InChIInChI=1S/C12H17N5O2/c18-11-5-9(13-6-10-14-7-15-16-10)12(19)17(11)8-3-1-2-4-8/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyWTSYADXXCWBORO-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.04
Rot. Bonds4

About 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 54885174) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID54885174
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ncn[nH]2)C(=O)N1C1CCCC1
InChIInChI=1S/C12H17N5O2/c18-11-5-9(13-6-10-14-7-15-16-10)12(19)17(11)8-3-1-2-4-8/h7-9,13H,1-6H2,(H,14,15,16)
InChIKeyWTSYADXXCWBORO-UHFFFAOYSA-N
XLogP-0.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione (CID 54885174) is 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ncn[nH]2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is WTSYADXXCWBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11-5-9(13-6-10-14-7-15-16-10)12(19)17(11)8-3-1-2-4-8/h7-9,13H,1-6H2,(H,14,15,16).
What are the key properties of 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 54885174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).