2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide

C11H19N5OS — CID 63918705

IUPAC2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide
SMILESCNC(CSc1nnc(C)n1C)(C(N)=O)C1CC1
InChIInChI=1S/C11H19N5OS/c1-7-14-15-10(16(7)3)18-6-11(13-2,9(12)17)8-4-5-8/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeyAGPNUXZBMNNWHM-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.07
Rot. Bonds6

About 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide

2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide (PubChem CID 63918705) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide
PubChem CID63918705
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide
SMILESCNC(CSc1nnc(C)n1C)(C(N)=O)C1CC1
InChIInChI=1S/C11H19N5OS/c1-7-14-15-10(16(7)3)18-6-11(13-2,9(12)17)8-4-5-8/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeyAGPNUXZBMNNWHM-UHFFFAOYSA-N
XLogP0.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide (CID 63918705) is 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide is CNC(CSc1nnc(C)n1C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide?
The InChIKey is AGPNUXZBMNNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-7-14-15-10(16(7)3)18-6-11(13-2,9(12)17)8-4-5-8/h8,13H,4-6H2,1-3H3,(H2,12,17).
What are the key properties of 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide?
2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide has a molecular weight of 269.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide is sourced from PubChem (CID 63918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).