6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one

C6H10N4O — CID 122463216

IUPAC6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one
SMILESC=CC1N=C(N)NC(=O)N1C
InChIInChI=1S/C6H10N4O/c1-3-4-8-5(7)9-6(11)10(4)2/h3-4H,1H2,2H3,(H3,7,8,9,11)
InChIKeyYDECUEBAOXKBPZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.53
Rot. Bonds1

About 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one

6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one (PubChem CID 122463216) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one
PubChem CID122463216
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one
SMILESC=CC1N=C(N)NC(=O)N1C
InChIInChI=1S/C6H10N4O/c1-3-4-8-5(7)9-6(11)10(4)2/h3-4H,1H2,2H3,(H3,7,8,9,11)
InChIKeyYDECUEBAOXKBPZ-UHFFFAOYSA-N
XLogP-0.53
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one (CID 122463216) is 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one is C=CC1N=C(N)NC(=O)N1C.
What is the InChIKey of 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one?
The InChIKey is YDECUEBAOXKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-4-8-5(7)9-6(11)10(4)2/h3-4H,1H2,2H3,(H3,7,8,9,11).
What are the key properties of 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one?
6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethenyl-3-methyl-1,4-dihydro-1,3,5-triazin-2-one is sourced from PubChem (CID 122463216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).