1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one

C11H19N3O — CID 59802858

IUPAC1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one
SMILESC=C1N=CN(C(C)(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)12-7-13(10(14)15)11(4,5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyZKINZPJDRKQLPF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.43
Rot. Bonds1

About 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one

1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one (PubChem CID 59802858) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one
PubChem CID59802858
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one
SMILESC=C1N=CN(C(C)(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)12-7-13(10(14)15)11(4,5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyZKINZPJDRKQLPF-UHFFFAOYSA-N
XLogP2.43
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one?
The IUPAC name of 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one (CID 59802858) is 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one?
The canonical SMILES for 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one is C=C1N=CN(C(C)(C)C)C(=O)N1C(C)C.
What is the InChIKey of 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one?
The InChIKey is ZKINZPJDRKQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-9(3)12-7-13(10(14)15)11(4,5)6/h7-8H,3H2,1-2,4-6H3.
What are the key properties of 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one?
1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one is sourced from PubChem (CID 59802858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).