1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane

C8H13N3 — CID 139418700

IUPAC1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane
SMILESC=C1NC(=C)N(C)C(=C)N1C
InChIInChI=1S/C8H13N3/c1-6-9-7(2)11(5)8(3)10(6)4/h9H,1-3H2,4-5H3
InChIKeyMNCYMHAGYYWFBA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.87
Rot. Bonds

About 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane

1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane (PubChem CID 139418700) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane
PubChem CID139418700
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane
SMILESC=C1NC(=C)N(C)C(=C)N1C
InChIInChI=1S/C8H13N3/c1-6-9-7(2)11(5)8(3)10(6)4/h9H,1-3H2,4-5H3
InChIKeyMNCYMHAGYYWFBA-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane 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 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane?
The IUPAC name of 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane (CID 139418700) is 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane.
What is the SMILES notation for 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane?
The canonical SMILES for 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane is C=C1NC(=C)N(C)C(=C)N1C.
What is the InChIKey of 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane?
The InChIKey is MNCYMHAGYYWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-9-7(2)11(5)8(3)10(6)4/h9H,1-3H2,4-5H3.
What are the key properties of 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane?
1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane has a molecular weight of 151.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4,6-trimethylidene-1,3,5-triazinane is sourced from PubChem (CID 139418700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).