4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one

C4H8N4OS — CID 19799793

IUPAC4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one
SMILESCCSc1n[nH]c(=O)n1N
InChIInChI=1S/C4H8N4OS/c1-2-10-4-7-6-3(9)8(4)5/h2,5H2,1H3,(H,6,9)
InChIKeyVIHFXPWYTFRKCY-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.60
Rot. Bonds2

About 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one

4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 19799793) has the molecular formula C4H8N4OS and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one
PubChem CID19799793
Molecular FormulaC4H8N4OS
Molecular Weight160.20 g/mol
Exact Mass160.04
IUPAC Name4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one
SMILESCCSc1n[nH]c(=O)n1N
InChIInChI=1S/C4H8N4OS/c1-2-10-4-7-6-3(9)8(4)5/h2,5H2,1H3,(H,6,9)
InChIKeyVIHFXPWYTFRKCY-UHFFFAOYSA-N
XLogP-0.60
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[(4-amino-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 63748539
3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137212019
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
CID 67617205
3-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 65012355
3-(2-methylpropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 78765597
4-ethyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one
CID 60626329
8-ethylsulfanyl-3,9-dimethylpurine-2,6-dione
CID 10586124
ethyl 2-methyl-2-(methylamino)-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 62883525
3-[2-amino-1-(4-bromophenyl)butyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898248
3-(2-amino-3,3-dimethylbutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64634515
N'-hydroxy-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidamide
CID 76873092
ethyl 3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 60670848

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one (CID 19799793) is 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one is CCSc1n[nH]c(=O)n1N.
What is the InChIKey of 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is VIHFXPWYTFRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4OS/c1-2-10-4-7-6-3(9)8(4)5/h2,5H2,1H3,(H,6,9).
What are the key properties of 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one?
4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 160.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 19799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).