5-ethenyl-1H-1,2,4-triazole

C4H5N3 — CID 19004185

IUPAC5-ethenyl-1H-1,2,4-triazole
SMILESC=Cc1ncn[nH]1
InChIInChI=1S/C4H5N3/c1-2-4-5-3-6-7-4/h2-3H,1H2,(H,5,6,7)
InChIKeyBFPBKEWLBZWGPQ-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.45
Rot. Bonds1

About 5-ethenyl-1H-1,2,4-triazole

5-ethenyl-1H-1,2,4-triazole (PubChem CID 19004185) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 5-ethenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1H-1,2,4-triazole
PubChem CID19004185
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name5-ethenyl-1H-1,2,4-triazole
SMILESC=Cc1ncn[nH]1
InChIInChI=1S/C4H5N3/c1-2-4-5-3-6-7-4/h2-3H,1H2,(H,5,6,7)
InChIKeyBFPBKEWLBZWGPQ-UHFFFAOYSA-N
XLogP0.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-pyrazol-1-ylmethanol
CID 305560
3-Ethyl-1,2,4(1H)-triazole
CID 23891
Stk741258
CID 931370
3-Allyl-1,2,4-triazole
CID 54043543
5-(Propen-2-yl)-1h-1,2,4-triazole
CID 68753131
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
[1,2,4]Triazolo[1,5-b]pyridazine-6-thiol
CID 17996065
2-(1H-1,2,4-triazol-5-yl)ethenone
CID 22708687
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1H-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1H-1,2,4-triazole (CID 19004185) is 5-ethenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1H-1,2,4-triazole is C=Cc1ncn[nH]1.
What is the InChIKey of 5-ethenyl-1H-1,2,4-triazole?
The InChIKey is BFPBKEWLBZWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c1-2-4-5-3-6-7-4/h2-3H,1H2,(H,5,6,7).
What are the key properties of 5-ethenyl-1H-1,2,4-triazole?
5-ethenyl-1H-1,2,4-triazole has a molecular weight of 95.10 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1H-1,2,4-triazole is sourced from PubChem (CID 19004185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).