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

C7H11N3 — CID 137394448

IUPAC1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\c1ncnn1CC
InChIInChI=1S/C7H11N3/c1-3-5-7-8-6-9-10(7)4-2/h3,5-6H,4H2,1-2H3/b5-3-
InChIKeyQVGLFBJAKKZQIA-HYXAFXHYSA-N
MW137.19 g/mol
LogP1.33
Rot. Bonds2

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

1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 137394448) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID137394448
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\c1ncnn1CC
InChIInChI=1S/C7H11N3/c1-3-5-7-8-6-9-10(7)4-2/h3,5-6H,4H2,1-2H3/b5-3-
InChIKeyQVGLFBJAKKZQIA-HYXAFXHYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 137394448) is 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is C/C=C\c1ncnn1CC.
What is the InChIKey of 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is QVGLFBJAKKZQIA-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-5-7-8-6-9-10(7)4-2/h3,5-6H,4H2,1-2H3/b5-3-.
What are the key properties of 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 137394448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).