3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine

C8H13N3 — CID 76605143

IUPAC3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
SMILESC=C1N(C)C=CC=NCN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4-6H,1,7H2,2-3H3
InChIKeyOXWLITGIXIDDCU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

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

3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine (PubChem CID 76605143) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
PubChem CID76605143
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
SMILESC=C1N(C)C=CC=NCN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4-6H,1,7H2,2-3H3
InChIKeyOXWLITGIXIDDCU-UHFFFAOYSA-N
XLogP0.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Methyl-imidazo[1,5-a]pyrimidine
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[(Z)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 96570747
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
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1-butyl-3-methyl-2H-pyrimidin-3-ium
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The IUPAC name of 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine (CID 76605143) is 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The canonical SMILES for 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine is C=C1N(C)C=CC=NCN1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The InChIKey is OXWLITGIXIDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4-6H,1,7H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine has a molecular weight of 151.21 g/mol, XLogP of 0.88, 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-2H-1,3,5-triazocine is sourced from PubChem (CID 76605143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).