3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one

C11H9N3O2 — CID 15906358

IUPAC3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1n1cncn1
InChIInChI=1S/C11H9N3O2/c15-11-8-3-1-2-4-10(8)16-5-9(11)14-7-12-6-13-14/h1-4,6-7,9H,5H2
InChIKeyUHRXCXCXTPYRBN-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.09
Rot. Bonds1

About 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one

3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one (PubChem CID 15906358) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one
PubChem CID15906358
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1n1cncn1
InChIInChI=1S/C11H9N3O2/c15-11-8-3-1-2-4-10(8)16-5-9(11)14-7-12-6-13-14/h1-4,6-7,9H,5H2
InChIKeyUHRXCXCXTPYRBN-UHFFFAOYSA-N
XLogP1.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one (CID 15906358) is 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1n1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one?
The InChIKey is UHRXCXCXTPYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11-8-3-1-2-4-10(8)16-5-9(11)14-7-12-6-13-14/h1-4,6-7,9H,5H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one?
3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one has a molecular weight of 215.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15906358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).