ethane;5-methoxy-1,2,4-triazine

C6H11N3O — CID 143523036

IUPACethane;5-methoxy-1,2,4-triazine
SMILESCC.COc1cnncn1
InChIInChI=1S/C4H5N3O.C2H6/c1-8-4-2-6-7-3-5-4;1-2/h2-3H,1H3;1-2H3
InChIKeyVKQQEDQUCLXUHB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.91
Rot. Bonds1

About ethane;5-methoxy-1,2,4-triazine

ethane;5-methoxy-1,2,4-triazine (PubChem CID 143523036) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is ethane;5-methoxy-1,2,4-triazine.

Molecular Properties

Compound Nameethane;5-methoxy-1,2,4-triazine
PubChem CID143523036
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Nameethane;5-methoxy-1,2,4-triazine
SMILESCC.COc1cnncn1
InChIInChI=1S/C4H5N3O.C2H6/c1-8-4-2-6-7-3-5-4;1-2/h2-3H,1H3;1-2H3
InChIKeyVKQQEDQUCLXUHB-UHFFFAOYSA-N
XLogP0.91
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1,2,4-triazine?
The IUPAC name of ethane;5-methoxy-1,2,4-triazine (CID 143523036) is ethane;5-methoxy-1,2,4-triazine.
What is the SMILES notation for ethane;5-methoxy-1,2,4-triazine?
The canonical SMILES for ethane;5-methoxy-1,2,4-triazine is CC.COc1cnncn1.
What is the InChIKey of ethane;5-methoxy-1,2,4-triazine?
The InChIKey is VKQQEDQUCLXUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C2H6/c1-8-4-2-6-7-3-5-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;5-methoxy-1,2,4-triazine?
ethane;5-methoxy-1,2,4-triazine has a molecular weight of 141.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1,2,4-triazine is sourced from PubChem (CID 143523036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).