2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide

C13H20N6OS — CID 115621192

IUPAC2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSc2nncn2C(C)C)n[nH]1
InChIInChI=1S/C13H20N6OS/c1-4-5-10-6-11(17-16-10)15-12(20)7-21-13-18-14-8-19(13)9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,15,16,17,20)
InChIKeyREJIHGRJAGXOIM-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.27
Rot. Bonds7

About 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide

2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115621192) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115621192
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSc2nncn2C(C)C)n[nH]1
InChIInChI=1S/C13H20N6OS/c1-4-5-10-6-11(17-16-10)15-12(20)7-21-13-18-14-8-19(13)9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,15,16,17,20)
InChIKeyREJIHGRJAGXOIM-UHFFFAOYSA-N
XLogP2.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide with MolForge

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propoxyphenyl)acetamide
CID 42124801
N-(4-iodophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819087
N-(3-methylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675745
N-(2-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124445
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352435
N-[(2S)-2-hydroxypropyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 83029926
N-ethyl-4-methyl-3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55782604
2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621077
4-fluoro-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 40969712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115621192) is 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)CSc2nncn2C(C)C)n[nH]1.
What is the InChIKey of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is REJIHGRJAGXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-5-10-6-11(17-16-10)15-12(20)7-21-13-18-14-8-19(13)9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H2,15,16,17,20).
What are the key properties of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 308.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115621192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).