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

C8H12N4OS — CID 2374457

IUPACN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C8H12N4OS/c1-12-5-9-11-8(12)14-4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyJVVUULRMCUVPRN-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.19
Rot. Bonds4

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

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2374457) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2374457
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C8H12N4OS/c1-12-5-9-11-8(12)14-4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyJVVUULRMCUVPRN-UHFFFAOYSA-N
XLogP0.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.19
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-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2374457) is N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is JVVUULRMCUVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-12-5-9-11-8(12)14-4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 212.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2374457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).