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

C11H19N5O2S — CID 55128769

IUPAC3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
SMILESCCCNC(CSc1n[nH]c(=O)n1C1CC1)C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-2-5-13-8(9(12)17)6-19-11-15-14-10(18)16(11)7-3-4-7/h7-8,13H,2-6H2,1H3,(H2,12,17)(H,14,18)
InChIKeyOERXTTDBSVGOQK-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.15
Rot. Bonds8

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

3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide (PubChem CID 55128769) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
PubChem CID55128769
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
SMILESCCCNC(CSc1n[nH]c(=O)n1C1CC1)C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-2-5-13-8(9(12)17)6-19-11-15-14-10(18)16(11)7-3-4-7/h7-8,13H,2-6H2,1H3,(H2,12,17)(H,14,18)
InChIKeyOERXTTDBSVGOQK-UHFFFAOYSA-N
XLogP-0.15
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The IUPAC name of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide (CID 55128769) is 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide.
What is the SMILES notation for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The canonical SMILES for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide is CCCNC(CSc1n[nH]c(=O)n1C1CC1)C(N)=O.
What is the InChIKey of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The InChIKey is OERXTTDBSVGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-2-5-13-8(9(12)17)6-19-11-15-14-10(18)16(11)7-3-4-7/h7-8,13H,2-6H2,1H3,(H2,12,17)(H,14,18).
What are the key properties of 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide has a molecular weight of 285.37 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide is sourced from PubChem (CID 55128769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).