N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C8H14N4OS — CID 115749162

IUPACN-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCSCC(C)NC(=O)c1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-3-14-4-6(2)11-8(13)7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,9,10,12)
InChIKeyPQIGXYZQOURALC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.68
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115749162) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID115749162
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCSCC(C)NC(=O)c1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-3-14-4-6(2)11-8(13)7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,9,10,12)
InChIKeyPQIGXYZQOURALC-UHFFFAOYSA-N
XLogP0.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276442

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 115749162) is N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CCSCC(C)NC(=O)c1ncn[nH]1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PQIGXYZQOURALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-14-4-6(2)11-8(13)7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,9,10,12).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).