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

C11H18N4O2S — CID 42884178

IUPACN-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C11H18N4O2S/c1-3-7(2)12-9(16)6-18-11-14-13-10(17)15(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHEHYVOQISVGDQC-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.91
Rot. Bonds6

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

N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 42884178) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID42884178
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C11H18N4O2S/c1-3-7(2)12-9(16)6-18-11-14-13-10(17)15(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHEHYVOQISVGDQC-UHFFFAOYSA-N
XLogP0.91
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 42884178) is N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCC(C)NC(=O)CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HEHYVOQISVGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-7(2)12-9(16)6-18-11-14-13-10(17)15(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 270.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 42884178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).