3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine

C8H15N3 — CID 76605149

IUPAC3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine
SMILESC=C1N(C)C=CCNCN1C
InChIInChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4,6,9H,1,5,7H2,2-3H3
InChIKeyQZIPWIIHOCSFLH-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.40
Rot. Bonds

About 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine

3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine (PubChem CID 76605149) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine
PubChem CID76605149
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine
SMILESC=C1N(C)C=CCNCN1C
InChIInChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4,6,9H,1,5,7H2,2-3H3
InChIKeyQZIPWIIHOCSFLH-UHFFFAOYSA-N
XLogP0.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine?
The IUPAC name of 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine (CID 76605149) is 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine?
The canonical SMILES for 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine is C=C1N(C)C=CCNCN1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine?
The InChIKey is QZIPWIIHOCSFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4,6,9H,1,5,7H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine?
3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine has a molecular weight of 153.23 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylidene-2,8-dihydro-1H-1,3,5-triazocine is sourced from PubChem (CID 76605149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).