2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C10H16N4O2S — CID 18202056

IUPAC2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H16N4O2S/c1-2-5-11-8(15)6-17-10-13-12-9(16)14(10)7-3-4-7/h7H,2-6H2,1H3,(H,11,15)(H,12,16)
InChIKeyUNQIMCIAZNWVEO-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.52
Rot. Bonds6

About 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 18202056) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID18202056
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H16N4O2S/c1-2-5-11-8(15)6-17-10-13-12-9(16)14(10)7-3-4-7/h7H,2-6H2,1H3,(H,11,15)(H,12,16)
InChIKeyUNQIMCIAZNWVEO-UHFFFAOYSA-N
XLogP0.52
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 18202056) is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is UNQIMCIAZNWVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-5-11-8(15)6-17-10-13-12-9(16)14(10)7-3-4-7/h7H,2-6H2,1H3,(H,11,15)(H,12,16).
What are the key properties of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 18202056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).