4-methoxy-1,3,5-triazin-2-amine

C4H6N4O — CID 14288

IUPAC4-methoxy-1,3,5-triazin-2-amine
SMILESCOc1ncnc(N)n1
InChIInChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChIKeyNROXQTDIDGVYHK-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.54
Rot. Bonds1

About 4-methoxy-1,3,5-triazin-2-amine

4-methoxy-1,3,5-triazin-2-amine (PubChem CID 14288) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 4-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-1,3,5-triazin-2-amine
PubChem CID14288
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name4-methoxy-1,3,5-triazin-2-amine
SMILESCOc1ncnc(N)n1
InChIInChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChIKeyNROXQTDIDGVYHK-UHFFFAOYSA-N
XLogP-0.54
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-1,3,5-triazin-2-amine (CID 14288) is 4-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-1,3,5-triazin-2-amine is COc1ncnc(N)n1.
What is the InChIKey of 4-methoxy-1,3,5-triazin-2-amine?
The InChIKey is NROXQTDIDGVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8).
What are the key properties of 4-methoxy-1,3,5-triazin-2-amine?
4-methoxy-1,3,5-triazin-2-amine has a molecular weight of 126.12 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 14288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).