N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide

C9H16N4OS — CID 22974761

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(SCC)n[nH]1
InChIInChI=1S/C9H16N4OS/c1-3-5-6-7(14)10-8-11-9(13-12-8)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyFTILBYKKUWQNLY-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.05
Rot. Bonds6

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 22974761) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID22974761
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(SCC)n[nH]1
InChIInChI=1S/C9H16N4OS/c1-3-5-6-7(14)10-8-11-9(13-12-8)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyFTILBYKKUWQNLY-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide (CID 22974761) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide is CCCCC(=O)Nc1nc(SCC)n[nH]1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is FTILBYKKUWQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-5-6-7(14)10-8-11-9(13-12-8)15-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 228.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 22974761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).