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

C4H5N3S — CID 23225434

IUPAC3-ethenyl-1-sulfanyl-1,2,4-triazole
SMILESC=Cc1ncn(S)n1
InChIInChI=1S/C4H5N3S/c1-2-4-5-3-7(8)6-4/h2-3,8H,1H2
InChIKeyWGBNAXRDVNVVQM-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.61
Rot. Bonds1

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

3-ethenyl-1-sulfanyl-1,2,4-triazole (PubChem CID 23225434) has the molecular formula C4H5N3S and a molecular weight of 127.17 g/mol. Its IUPAC name is 3-ethenyl-1-sulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenyl-1-sulfanyl-1,2,4-triazole
PubChem CID23225434
Molecular FormulaC4H5N3S
Molecular Weight127.17 g/mol
Exact Mass127.02
IUPAC Name3-ethenyl-1-sulfanyl-1,2,4-triazole
SMILESC=Cc1ncn(S)n1
InChIInChI=1S/C4H5N3S/c1-2-4-5-3-7(8)6-4/h2-3,8H,1H2
InChIKeyWGBNAXRDVNVVQM-UHFFFAOYSA-N
XLogP0.61
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
3-(2,2-Dichloroethenyl)-1-methyl-1,2,4-triazole
CID 20491092
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1-Prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 60710153
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
5-Ethenyl-1-propan-2-yl-1,2,4-triazole
CID 115011320
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-sulfanyl-1,2,4-triazole?
The IUPAC name of 3-ethenyl-1-sulfanyl-1,2,4-triazole (CID 23225434) is 3-ethenyl-1-sulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-ethenyl-1-sulfanyl-1,2,4-triazole?
The canonical SMILES for 3-ethenyl-1-sulfanyl-1,2,4-triazole is C=Cc1ncn(S)n1.
What is the InChIKey of 3-ethenyl-1-sulfanyl-1,2,4-triazole?
The InChIKey is WGBNAXRDVNVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c1-2-4-5-3-7(8)6-4/h2-3,8H,1H2.
What are the key properties of 3-ethenyl-1-sulfanyl-1,2,4-triazole?
3-ethenyl-1-sulfanyl-1,2,4-triazole has a molecular weight of 127.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-sulfanyl-1,2,4-triazole is sourced from PubChem (CID 23225434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).