N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C10H16N4OS — CID 7352483

IUPACN-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C10H16N4OS/c1-7(2)14-6-11-13-10(14)16-5-9(15)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyIZTHTENKZWFWQH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.23
Rot. Bonds5

About N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7352483) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7352483
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C10H16N4OS/c1-7(2)14-6-11-13-10(14)16-5-9(15)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyIZTHTENKZWFWQH-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7352483) is N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IZTHTENKZWFWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(2)14-6-11-13-10(14)16-5-9(15)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 240.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7352483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).