1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one

C11H17N5O2S — CID 55179538

IUPAC1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESCC(C)n1c(N)nnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-9(18)15-5-3-4-8(15)17/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeySLFNYQGRULKMSC-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.68
Rot. Bonds4

About 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one

1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 55179538) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID55179538
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESCC(C)n1c(N)nnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-9(18)15-5-3-4-8(15)17/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeySLFNYQGRULKMSC-UHFFFAOYSA-N
XLogP0.68
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one (CID 55179538) is 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one is CC(C)n1c(N)nnc1SCC(=O)N1CCCC1=O.
What is the InChIKey of 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is SLFNYQGRULKMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-9(18)15-5-3-4-8(15)17/h7H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 283.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 55179538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).