4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde

C5H8N4S — CID 174921907

IUPAC4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde
SMILESCCc1nnc(C=S)n1N
InChIInChI=1S/C5H8N4S/c1-2-4-7-8-5(3-10)9(4)6/h3H,2,6H2,1H3
InChIKeyAHLCRTKBAIEXTB-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.10
Rot. Bonds2

About 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde

4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde (PubChem CID 174921907) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde.

Molecular Properties

Compound Name4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde
PubChem CID174921907
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde
SMILESCCc1nnc(C=S)n1N
InChIInChI=1S/C5H8N4S/c1-2-4-7-8-5(3-10)9(4)6/h3H,2,6H2,1H3
InChIKeyAHLCRTKBAIEXTB-UHFFFAOYSA-N
XLogP-0.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde?
The IUPAC name of 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde (CID 174921907) is 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde.
What is the SMILES notation for 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde?
The canonical SMILES for 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde is CCc1nnc(C=S)n1N.
What is the InChIKey of 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde?
The InChIKey is AHLCRTKBAIEXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-4-7-8-5(3-10)9(4)6/h3H,2,6H2,1H3.
What are the key properties of 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde?
4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde has a molecular weight of 156.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde is sourced from PubChem (CID 174921907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).