6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine

C11H6ClN3O — CID 116822932

IUPAC6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine
SMILESClc1ncnnc1-c1coc2ccccc12
InChIInChI=1S/C11H6ClN3O/c12-11-10(15-14-6-13-11)8-5-16-9-4-2-1-3-7(8)9/h1-6H
InChIKeyHVKHPLUGLZBUCK-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.94
Rot. Bonds1

About 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine

6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine (PubChem CID 116822932) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine.

Molecular Properties

Compound Name6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine
PubChem CID116822932
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine
SMILESClc1ncnnc1-c1coc2ccccc12
InChIInChI=1S/C11H6ClN3O/c12-11-10(15-14-6-13-11)8-5-16-9-4-2-1-3-7(8)9/h1-6H
InChIKeyHVKHPLUGLZBUCK-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine?
The IUPAC name of 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine (CID 116822932) is 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine.
What is the SMILES notation for 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine?
The canonical SMILES for 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine is Clc1ncnnc1-c1coc2ccccc12.
What is the InChIKey of 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine?
The InChIKey is HVKHPLUGLZBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-11-10(15-14-6-13-11)8-5-16-9-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine?
6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine has a molecular weight of 231.64 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-3-yl)-5-chloro-1,2,4-triazine is sourced from PubChem (CID 116822932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).