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

C8H7N3O2 — CID 3053027

IUPAC5-(furan-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyGFYLFMFTXZTSBV-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.14
Rot. Bonds2

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

5-(furan-2-yl)-3-methoxy-1,2,4-triazine (PubChem CID 3053027) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-(furan-2-yl)-3-methoxy-1,2,4-triazine
PubChem CID3053027
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-(furan-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyGFYLFMFTXZTSBV-UHFFFAOYSA-N
XLogP1.14
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-(furan-2-yl)-3-methoxy-1,2,4-triazine (CID 3053027) is 5-(furan-2-yl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-(furan-2-yl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-(furan-2-yl)-3-methoxy-1,2,4-triazine is COc1nncc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-methoxy-1,2,4-triazine?
The InChIKey is GFYLFMFTXZTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3.
What are the key properties of 5-(furan-2-yl)-3-methoxy-1,2,4-triazine?
5-(furan-2-yl)-3-methoxy-1,2,4-triazine has a molecular weight of 177.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).