6-methoxy-1,2,4-triazine

C4H5N3O — CID 18622372

IUPAC6-methoxy-1,2,4-triazine
SMILESCOc1cncnn1
InChIInChI=1S/C4H5N3O/c1-8-4-2-5-3-6-7-4/h2-3H,1H3
InChIKeyZIFWHOAXCZEGJL-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.12
Rot. Bonds1

About 6-methoxy-1,2,4-triazine

6-methoxy-1,2,4-triazine (PubChem CID 18622372) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 6-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name6-methoxy-1,2,4-triazine
PubChem CID18622372
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name6-methoxy-1,2,4-triazine
SMILESCOc1cncnn1
InChIInChI=1S/C4H5N3O/c1-8-4-2-5-3-6-7-4/h2-3H,1H3
InChIKeyZIFWHOAXCZEGJL-UHFFFAOYSA-N
XLogP-0.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,4-triazine?
The IUPAC name of 6-methoxy-1,2,4-triazine (CID 18622372) is 6-methoxy-1,2,4-triazine.
What is the SMILES notation for 6-methoxy-1,2,4-triazine?
The canonical SMILES for 6-methoxy-1,2,4-triazine is COc1cncnn1.
What is the InChIKey of 6-methoxy-1,2,4-triazine?
The InChIKey is ZIFWHOAXCZEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-8-4-2-5-3-6-7-4/h2-3H,1H3.
What are the key properties of 6-methoxy-1,2,4-triazine?
6-methoxy-1,2,4-triazine has a molecular weight of 111.10 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,4-triazine is sourced from PubChem (CID 18622372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).