4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine

C7H10N4O — CID 70465850

IUPAC4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCc1nc(N)nc(OC)n1
InChIInChI=1S/C7H10N4O/c1-3-4-5-9-6(8)11-7(10-5)12-2/h3H,1,4H2,2H3,(H2,8,9,10,11)
InChIKeyOOYYTLMCKUEPGF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.19
Rot. Bonds3

About 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine

4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 70465850) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID70465850
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCc1nc(N)nc(OC)n1
InChIInChI=1S/C7H10N4O/c1-3-4-5-9-6(8)11-7(10-5)12-2/h3H,1,4H2,2H3,(H2,8,9,10,11)
InChIKeyOOYYTLMCKUEPGF-UHFFFAOYSA-N
XLogP0.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine (CID 70465850) is 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine is C=CCc1nc(N)nc(OC)n1.
What is the InChIKey of 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is OOYYTLMCKUEPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-4-5-9-6(8)11-7(10-5)12-2/h3H,1,4H2,2H3,(H2,8,9,10,11).
What are the key properties of 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine?
4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 166.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70465850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).