2-sulfanyl-1,2,4-triazole-3-carboxamide

C3H4N4OS — CID 143941303

IUPAC2-sulfanyl-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1S
InChIInChI=1S/C3H4N4OS/c4-2(8)3-5-1-6-7(3)9/h1,9H,(H2,4,8)
InChIKeyCRFLOCZWXPIGAM-UHFFFAOYSA-N
MW144.16 g/mol
LogP-0.93
Rot. Bonds1

About 2-sulfanyl-1,2,4-triazole-3-carboxamide

2-sulfanyl-1,2,4-triazole-3-carboxamide (PubChem CID 143941303) has the molecular formula C3H4N4OS and a molecular weight of 144.16 g/mol. Its IUPAC name is 2-sulfanyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-sulfanyl-1,2,4-triazole-3-carboxamide
PubChem CID143941303
Molecular FormulaC3H4N4OS
Molecular Weight144.16 g/mol
Exact Mass144.01
IUPAC Name2-sulfanyl-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1S
InChIInChI=1S/C3H4N4OS/c4-2(8)3-5-1-6-7(3)9/h1,9H,(H2,4,8)
InChIKeyCRFLOCZWXPIGAM-UHFFFAOYSA-N
XLogP-0.93
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-1,2,4-triazole-3-carboxamide
CID 21481196
2-fluoro-4-(2-sulfanyl-1,2,4-triazol-3-yl)benzamide
CID 143941398
2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 90673688
1-sulfanylpyrazole-4-carboxamide
CID 138476290
2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
CID 84768773
8-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 173094110
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980
1-(2-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-one
CID 130529478
2-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylic acid
CID 157031199
imidazo[1,5-a]pyrimidine-6-carboxamide
CID 141444985
methyl 4-[2-[3-(5-carbamoyl-1,2,4-triazol-1-yl)phenyl]phenyl]benzoate
CID 174528602
(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130688340

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-sulfanyl-1,2,4-triazole-3-carboxamide (CID 143941303) is 2-sulfanyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-sulfanyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-sulfanyl-1,2,4-triazole-3-carboxamide is NC(=O)c1ncnn1S.
What is the InChIKey of 2-sulfanyl-1,2,4-triazole-3-carboxamide?
The InChIKey is CRFLOCZWXPIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4OS/c4-2(8)3-5-1-6-7(3)9/h1,9H,(H2,4,8).
What are the key properties of 2-sulfanyl-1,2,4-triazole-3-carboxamide?
2-sulfanyl-1,2,4-triazole-3-carboxamide has a molecular weight of 144.16 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 143941303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).