N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

C7H12N4OS — CID 5307194

IUPACN-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCSc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C7H12N4OS/c1-3-4-13-7-9-6(10-11-7)8-5(2)12/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyQURASSNYVOMDDW-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.27
Rot. Bonds4

About N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 5307194) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID5307194
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCSc1n[nH]c(NC(C)=O)n1
InChIInChI=1S/C7H12N4OS/c1-3-4-13-7-9-6(10-11-7)8-5(2)12/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyQURASSNYVOMDDW-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(Methylthio)-1H-1,2,4-triazol-5-yl)acetamide
CID 1248169
N-(5-ethylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide
CID 653191
ethyl 2-{[3-(propionylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
CID 3802053
N-(3-decylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 3115146
N-(5-Isobutylsulfanyl-1H-[1,2,4]triazol-3-yl)-acetamide
CID 575803
N-(1-acetyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 684787
ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
CID 3762357
3-{[5-(acetylamino)-1H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
CID 45032948
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2,2,2-trifluoroacetamide
CID 108756414
2,2-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 127009528
N-[3-(allylthio)-1H-1,2,4-triazol-5-yl]acetamide
CID 45032918
1,2,4-Triazole, 1-acetyl-3-acetylamino-5-propylthio-
CID 539915

Frequently Asked Questions

What is the IUPAC name of N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (CID 5307194) is N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is CCCSc1n[nH]c(NC(C)=O)n1.
What is the InChIKey of N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is QURASSNYVOMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-4-13-7-9-6(10-11-7)8-5(2)12/h3-4H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 200.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 5307194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).