3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine

C8H15N3 — CID 76605174

IUPAC3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine
SMILESC=C1N(C)CCC=NCN1C
InChIInChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h5H,1,4,6-7H2,2-3H3
InChIKeyKDQFVTQYOIYDAS-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.75
Rot. Bonds

About 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine

3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine (PubChem CID 76605174) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine
PubChem CID76605174
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine
SMILESC=C1N(C)CCC=NCN1C
InChIInChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h5H,1,4,6-7H2,2-3H3
InChIKeyKDQFVTQYOIYDAS-UHFFFAOYSA-N
XLogP0.75
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine 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 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine?
The IUPAC name of 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine (CID 76605174) is 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine?
The canonical SMILES for 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine is C=C1N(C)CCC=NCN1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine?
The InChIKey is KDQFVTQYOIYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h5H,1,4,6-7H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine?
3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine has a molecular weight of 153.23 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine is sourced from PubChem (CID 76605174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).