1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline

C13H11N3 — CID 6383807

IUPAC1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESC/C=C/c1nnc2ccc3ccccc3n12
InChIInChI=1S/C13H11N3/c1-2-5-12-14-15-13-9-8-10-6-3-4-7-11(10)16(12)13/h2-9H,1H3/b5-2+
InChIKeyWSDULWVQFQINFD-GORDUTHDSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds1

About 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline

1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 6383807) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID6383807
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESC/C=C/c1nnc2ccc3ccccc3n12
InChIInChI=1S/C13H11N3/c1-2-5-12-14-15-13-9-8-10-6-3-4-7-11(10)16(12)13/h2-9H,1H3/b5-2+
InChIKeyWSDULWVQFQINFD-GORDUTHDSA-N
XLogP2.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline (CID 6383807) is 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline is C/C=C/c1nnc2ccc3ccccc3n12.
What is the InChIKey of 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is WSDULWVQFQINFD-GORDUTHDSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-12-14-15-13-9-8-10-6-3-4-7-11(10)16(12)13/h2-9H,1H3/b5-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline?
1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 209.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 6383807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).