(6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine

C8H13N3 — CID 159029882

IUPAC(6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
SMILESC=C1N(C)/C=C\C=NCN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4-6H,1,7H2,2-3H3/b6-4-,9-5?
InChIKeyOXWLITGIXIDDCU-LSWUTZEOSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

About (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine

(6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine (PubChem CID 159029882) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine.

Molecular Properties

Compound Name(6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
PubChem CID159029882
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
SMILESC=C1N(C)/C=C\C=NCN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-5-9-7-11(8)3/h4-6H,1,7H2,2-3H3/b6-4-,9-5?
InChIKeyOXWLITGIXIDDCU-LSWUTZEOSA-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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Frequently Asked Questions

What is the IUPAC name of (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The IUPAC name of (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine (CID 159029882) is (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine.
What is the SMILES notation for (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The canonical SMILES for (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine is C=C1N(C)/C=C\C=NCN1C.
What is the InChIKey of (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
The InChIKey is OXWLITGIXIDDCU-LSWUTZEOSA-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/b6-4-,9-5?.
What are the key properties of (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine?
(6Z)-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 (6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine is sourced from PubChem (CID 159029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).