1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone

C7H9N3O — CID 11435041

IUPAC1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone
SMILESC/C=C/n1ncc(C(C)=O)n1
InChIInChI=1S/C7H9N3O/c1-3-4-10-8-5-7(9-10)6(2)11/h3-5H,1-2H3/b4-3+
InChIKeyANXRBRFCGREVCS-ONEGZZNKSA-N
MW151.17 g/mol
LogP0.97
Rot. Bonds2

About 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone

1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone (PubChem CID 11435041) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone
PubChem CID11435041
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone
SMILESC/C=C/n1ncc(C(C)=O)n1
InChIInChI=1S/C7H9N3O/c1-3-4-10-8-5-7(9-10)6(2)11/h3-5H,1-2H3/b4-3+
InChIKeyANXRBRFCGREVCS-ONEGZZNKSA-N
XLogP0.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone (CID 11435041) is 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone is C/C=C/n1ncc(C(C)=O)n1.
What is the InChIKey of 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone?
The InChIKey is ANXRBRFCGREVCS-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9N3O/c1-3-4-10-8-5-7(9-10)6(2)11/h3-5H,1-2H3/b4-3+.
What are the key properties of 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone?
1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone has a molecular weight of 151.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-prop-1-enyl]triazol-4-yl]ethanone is sourced from PubChem (CID 11435041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).