2-methoxy-1,3,5-triazine

C4H5N3O — CID 28657

IUPAC2-methoxy-1,3,5-triazine
SMILESCOc1ncncn1
InChIInChI=1S/C4H5N3O/c1-8-4-6-2-5-3-7-4/h2-3H,1H3
InChIKeyNCMONXLWVRSCBP-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.12
Rot. Bonds1

About 2-methoxy-1,3,5-triazine

2-methoxy-1,3,5-triazine (PubChem CID 28657) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 2-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-1,3,5-triazine
PubChem CID28657
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name2-methoxy-1,3,5-triazine
SMILESCOc1ncncn1
InChIInChI=1S/C4H5N3O/c1-8-4-6-2-5-3-7-4/h2-3H,1H3
InChIKeyNCMONXLWVRSCBP-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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Related Compounds

4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2,4-Dimethoxy-1,3,5-triazine
CID 243963
6-Ethoxy-sym-triazine
CID 19751196
Formaldehyde;1,3,5-triazine
CID 19901968
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
2-Methoxy-4-dimethylamino-1,3,5-triazine
CID 20209895
Water s-triazine
CID 21798619
Chloromethoxy-s-triazine
CID 53854570
2-Fluoro-4-methoxy-1,3,5-triazine
CID 17959652
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
1,3,5-Triazin-2-yl hypofluorite
CID 56974357

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3,5-triazine?
The IUPAC name of 2-methoxy-1,3,5-triazine (CID 28657) is 2-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-1,3,5-triazine?
The canonical SMILES for 2-methoxy-1,3,5-triazine is COc1ncncn1.
What is the InChIKey of 2-methoxy-1,3,5-triazine?
The InChIKey is NCMONXLWVRSCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-8-4-6-2-5-3-7-4/h2-3H,1H3.
What are the key properties of 2-methoxy-1,3,5-triazine?
2-methoxy-1,3,5-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 2-methoxy-1,3,5-triazine is sourced from PubChem (CID 28657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).