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

C7H11N3 — CID 155106918

IUPAC1-methyl-2,4,6-trimethylidene-1,3,5-triazinane
SMILESC=C1NC(=C)N(C)C(=C)N1
InChIInChI=1S/C7H11N3/c1-5-8-6(2)10(4)7(3)9-5/h8-9H,1-3H2,4H3
InChIKeyZDMZCEIEAWCZNJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.52
Rot. Bonds

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

1-methyl-2,4,6-trimethylidene-1,3,5-triazinane (PubChem CID 155106918) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane.

Molecular Properties

Compound Name1-methyl-2,4,6-trimethylidene-1,3,5-triazinane
PubChem CID155106918
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-methyl-2,4,6-trimethylidene-1,3,5-triazinane
SMILESC=C1NC(=C)N(C)C(=C)N1
InChIInChI=1S/C7H11N3/c1-5-8-6(2)10(4)7(3)9-5/h8-9H,1-3H2,4H3
InChIKeyZDMZCEIEAWCZNJ-UHFFFAOYSA-N
XLogP0.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane?
The IUPAC name of 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane (CID 155106918) is 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane.
What is the SMILES notation for 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane?
The canonical SMILES for 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane is C=C1NC(=C)N(C)C(=C)N1.
What is the InChIKey of 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane?
The InChIKey is ZDMZCEIEAWCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-8-6(2)10(4)7(3)9-5/h8-9H,1-3H2,4H3.
What are the key properties of 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane?
1-methyl-2,4,6-trimethylidene-1,3,5-triazinane has a molecular weight of 137.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,6-trimethylidene-1,3,5-triazinane is sourced from PubChem (CID 155106918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).