N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C10H14N6O3S — CID 43212653

IUPACN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1nc(SCC(=O)NC(=O)CN2CCCC2=O)n[nH]1
InChIInChI=1S/C10H14N6O3S/c11-9-13-10(15-14-9)20-5-7(18)12-6(17)4-16-3-1-2-8(16)19/h1-5H2,(H,12,17,18)(H3,11,13,14,15)
InChIKeyTUWBSNSAGFXJDY-UHFFFAOYSA-N
MW298.33 g/mol
LogP-1.26
Rot. Bonds5

About N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 43212653) has the molecular formula C10H14N6O3S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID43212653
Molecular FormulaC10H14N6O3S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC NameN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1nc(SCC(=O)NC(=O)CN2CCCC2=O)n[nH]1
InChIInChI=1S/C10H14N6O3S/c11-9-13-10(15-14-9)20-5-7(18)12-6(17)4-16-3-1-2-8(16)19/h1-5H2,(H,12,17,18)(H3,11,13,14,15)
InChIKeyTUWBSNSAGFXJDY-UHFFFAOYSA-N
XLogP-1.26
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 43212653) is N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Nc1nc(SCC(=O)NC(=O)CN2CCCC2=O)n[nH]1.
What is the InChIKey of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is TUWBSNSAGFXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3S/c11-9-13-10(15-14-9)20-5-7(18)12-6(17)4-16-3-1-2-8(16)19/h1-5H2,(H,12,17,18)(H3,11,13,14,15).
What are the key properties of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 298.33 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 43212653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).