4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H16N6O2 — CID 121190686

IUPAC4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H16N6O2/c20-12(10-5-14-13(21)15-10)18-4-3-9(6-18)19-7-11(16-17-19)8-1-2-8/h5,7-9H,1-4,6H2,(H2,14,15,21)
InChIKeyMAIHFINSRSIFTI-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.26
Rot. Bonds3

About 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 121190686) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID121190686
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H16N6O2/c20-12(10-5-14-13(21)15-10)18-4-3-9(6-18)19-7-11(16-17-19)8-1-2-8/h5,7-9H,1-4,6H2,(H2,14,15,21)
InChIKeyMAIHFINSRSIFTI-UHFFFAOYSA-N
XLogP0.26
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 121190686) is 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is MAIHFINSRSIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-12(10-5-14-13(21)15-10)18-4-3-9(6-18)19-7-11(16-17-19)8-1-2-8/h5,7-9H,1-4,6H2,(H2,14,15,21).
What are the key properties of 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 288.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 121190686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).