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

C12H9N3O2 — CID 3053065

IUPAC5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H9N3O2/c1-16-12-14-9(7-13-15-12)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
InChIKeyURQMJPXNDALFAU-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.29
Rot. Bonds2

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

5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine (PubChem CID 3053065) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine
PubChem CID3053065
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H9N3O2/c1-16-12-14-9(7-13-15-12)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
InChIKeyURQMJPXNDALFAU-UHFFFAOYSA-N
XLogP2.29
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine (CID 3053065) is 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine is COc1nncc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine?
The InChIKey is URQMJPXNDALFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-16-12-14-9(7-13-15-12)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine?
5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine has a molecular weight of 227.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).