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

C7H9N3 — CID 90201343

IUPAC5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cc1ncnn1/C=C\C
InChIInChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-6H,2H2,1H3/b5-3-
InChIKeyWNPOXYJDEVXSCP-HYXAFXHYSA-N
MW135.17 g/mol
LogP1.41
Rot. Bonds2

About 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole

5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 90201343) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID90201343
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cc1ncnn1/C=C\C
InChIInChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-6H,2H2,1H3/b5-3-
InChIKeyWNPOXYJDEVXSCP-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 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 90201343) is 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cc1ncnn1/C=C\C.
What is the InChIKey of 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is WNPOXYJDEVXSCP-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-6H,2H2,1H3/b5-3-.
What are the key properties of 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole?
5-ethenyl-1-[(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 5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 90201343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).