4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole

C7H9N3 — CID 138618364

IUPAC4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1cnnc1/C=C\C
InChIInChI=1S/C7H9N3/c1-3-5-7-9-8-6-10(7)4-2/h3-6H,2H2,1H3/b5-3-
InChIKeyIZJYQZIIXJTCLW-HYXAFXHYSA-N
MW135.17 g/mol
LogP1.41
Rot. Bonds2

About 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole

4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 138618364) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID138618364
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1cnnc1/C=C\C
InChIInChI=1S/C7H9N3/c1-3-5-7-9-8-6-10(7)4-2/h3-6H,2H2,1H3/b5-3-
InChIKeyIZJYQZIIXJTCLW-HYXAFXHYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 138618364) is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cn1cnnc1/C=C\C.
What is the InChIKey of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is IZJYQZIIXJTCLW-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-5-7-9-8-6-10(7)4-2/h3-6H,2H2,1H3/b5-3-.
What are the key properties of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 135.17 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 138618364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).