1-ethenyl-1,2,4-triazole

C4H5N3 — CID 565261

IUPAC1-ethenyl-1,2,4-triazole
SMILESC=Cn1cncn1
InChIInChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2
InChIKeyITUNZCVRYICLQM-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.38
Rot. Bonds1

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

1-ethenyl-1,2,4-triazole (PubChem CID 565261) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 1-ethenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethenyl-1,2,4-triazole
PubChem CID565261
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name1-ethenyl-1,2,4-triazole
SMILESC=Cn1cncn1
InChIInChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2
InChIKeyITUNZCVRYICLQM-UHFFFAOYSA-N
XLogP0.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1Z)-2-fluorobuta-1,3-dienyl]-1,2,4-triazole
CID 143413676
1-ethenoxy-1,2,4-triazole
CID 150062689
1,2,4-triazol-1-ylsilane
CID 123696978
1-ethenylsulfonyl-1,2,4-triazole
CID 55253242
1-pyrrolidin-1-yl-1,2,4-triazole
CID 69380848
1-ethenyltetrazole
CID 12753535
hydroxy-oxo-[3-(1,2,4-triazol-1-yl)prop-2-enoxy]phosphanium
CID 70465553
1,2,4-triazol-1-yltin(3+)
CID 23046012
1-[(E)-2-ethenylbut-2-enyl]-1,2,4-triazole
CID 143148586
4-but-3-enoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861454
1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole
CID 91552562
2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide
CID 175718548

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,2,4-triazole?
The IUPAC name of 1-ethenyl-1,2,4-triazole (CID 565261) is 1-ethenyl-1,2,4-triazole.
What is the SMILES notation for 1-ethenyl-1,2,4-triazole?
The canonical SMILES for 1-ethenyl-1,2,4-triazole is C=Cn1cncn1.
What is the InChIKey of 1-ethenyl-1,2,4-triazole?
The InChIKey is ITUNZCVRYICLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2.
What are the key properties of 1-ethenyl-1,2,4-triazole?
1-ethenyl-1,2,4-triazole has a molecular weight of 95.10 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,2,4-triazole is sourced from PubChem (CID 565261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).