5-tert-butyl-1,3,5-triazinan-2-one

C7H15N3O — CID 10975754

IUPAC5-tert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CNC(=O)NC1
InChIInChI=1S/C7H15N3O/c1-7(2,3)10-4-8-6(11)9-5-10/h4-5H2,1-3H3,(H2,8,9,11)
InChIKeyBTDCDPWYSVPDEX-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.31
Rot. Bonds

About 5-tert-butyl-1,3,5-triazinan-2-one

5-tert-butyl-1,3,5-triazinan-2-one (PubChem CID 10975754) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-tert-butyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3,5-triazinan-2-one
PubChem CID10975754
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name5-tert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CNC(=O)NC1
InChIInChI=1S/C7H15N3O/c1-7(2,3)10-4-8-6(11)9-5-10/h4-5H2,1-3H3,(H2,8,9,11)
InChIKeyBTDCDPWYSVPDEX-UHFFFAOYSA-N
XLogP0.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1,3,5-triazinan-2-one 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 5-tert-butyl-1,3,5-triazinan-2-one?
The IUPAC name of 5-tert-butyl-1,3,5-triazinan-2-one (CID 10975754) is 5-tert-butyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-tert-butyl-1,3,5-triazinan-2-one?
The canonical SMILES for 5-tert-butyl-1,3,5-triazinan-2-one is CC(C)(C)N1CNC(=O)NC1.
What is the InChIKey of 5-tert-butyl-1,3,5-triazinan-2-one?
The InChIKey is BTDCDPWYSVPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(2,3)10-4-8-6(11)9-5-10/h4-5H2,1-3H3,(H2,8,9,11).
What are the key properties of 5-tert-butyl-1,3,5-triazinan-2-one?
5-tert-butyl-1,3,5-triazinan-2-one has a molecular weight of 157.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 10975754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).