1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine

C12H19N3O — CID 165095740

IUPAC1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine
SMILESC=C1N=C(C)N=CN1[C@H]1CC(C)[C@@H](CC)O1
InChIInChI=1S/C12H19N3O/c1-5-11-8(2)6-12(16-11)15-7-13-9(3)14-10(15)4/h7-8,11-12H,4-6H2,1-3H3/t8?,11-,12-/m1/s1
InChIKeyXLYQGKPDGXUUHN-OXRXOVLSSA-N
MW221.30 g/mol
LogP2.38
Rot. Bonds2

About 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine

1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine (PubChem CID 165095740) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine.

Molecular Properties

Compound Name1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine
PubChem CID165095740
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine
SMILESC=C1N=C(C)N=CN1[C@H]1CC(C)[C@@H](CC)O1
InChIInChI=1S/C12H19N3O/c1-5-11-8(2)6-12(16-11)15-7-13-9(3)14-10(15)4/h7-8,11-12H,4-6H2,1-3H3/t8?,11-,12-/m1/s1
InChIKeyXLYQGKPDGXUUHN-OXRXOVLSSA-N
XLogP2.38
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine?
The IUPAC name of 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine (CID 165095740) is 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine.
What is the SMILES notation for 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine?
The canonical SMILES for 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine is C=C1N=C(C)N=CN1[C@H]1CC(C)[C@@H](CC)O1.
What is the InChIKey of 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine?
The InChIKey is XLYQGKPDGXUUHN-OXRXOVLSSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-11-8(2)6-12(16-11)15-7-13-9(3)14-10(15)4/h7-8,11-12H,4-6H2,1-3H3/t8?,11-,12-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine?
1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine has a molecular weight of 221.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-4-methyl-2-methylidene-1,3,5-triazine is sourced from PubChem (CID 165095740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).