2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine

C9H15N3O — CID 134581621

IUPAC2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
SMILESCC(C)(C)COCc1ncncn1
InChIInChI=1S/C9H15N3O/c1-9(2,3)5-13-4-8-11-6-10-7-12-8/h6-7H,4-5H2,1-3H3
InChIKeyXFNVJVWMAZUZBM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.43
Rot. Bonds3

About 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine

2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine (PubChem CID 134581621) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
PubChem CID134581621
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
SMILESCC(C)(C)COCc1ncncn1
InChIInChI=1S/C9H15N3O/c1-9(2,3)5-13-4-8-11-6-10-7-12-8/h6-7H,4-5H2,1-3H3
InChIKeyXFNVJVWMAZUZBM-UHFFFAOYSA-N
XLogP1.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine?
The IUPAC name of 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine (CID 134581621) is 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine is CC(C)(C)COCc1ncncn1.
What is the InChIKey of 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine?
The InChIKey is XFNVJVWMAZUZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)5-13-4-8-11-6-10-7-12-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine?
2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine has a molecular weight of 181.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine is sourced from PubChem (CID 134581621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).