3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one

C9H15N5O — CID 165482460

IUPAC3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(n2cnc(N)n2)C1=O
InChIInChI=1S/C9H15N5O/c1-6(2)13-4-3-7(8(13)15)14-5-11-9(10)12-14/h5-7H,3-4H2,1-2H3,(H2,10,12)
InChIKeyCVDIEAIZWBGWAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.04
Rot. Bonds2

About 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one

3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 165482460) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID165482460
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(n2cnc(N)n2)C1=O
InChIInChI=1S/C9H15N5O/c1-6(2)13-4-3-7(8(13)15)14-5-11-9(10)12-14/h5-7H,3-4H2,1-2H3,(H2,10,12)
InChIKeyCVDIEAIZWBGWAL-UHFFFAOYSA-N
XLogP0.04
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one (CID 165482460) is 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(n2cnc(N)n2)C1=O.
What is the InChIKey of 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is CVDIEAIZWBGWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6(2)13-4-3-7(8(13)15)14-5-11-9(10)12-14/h5-7H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one?
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 165482460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).