1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine

C8H13N3 — CID 76605140

IUPAC1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
SMILESC=C1N(C)C=C/N=C\CN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-9-5-7-11(8)3/h4-6H,1,7H2,2-3H3/b6-4?,9-5-
InChIKeyASJFGMYFXVXPHK-SLANBERKSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

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

1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine (PubChem CID 76605140) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine.

Molecular Properties

Compound Name1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
PubChem CID76605140
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
SMILESC=C1N(C)C=C/N=C\CN1C
InChIInChI=1S/C8H13N3/c1-8-10(2)6-4-9-5-7-11(8)3/h4-6H,1,7H2,2-3H3/b6-4?,9-5-
InChIKeyASJFGMYFXVXPHK-SLANBERKSA-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

3-Ethenyl-2,4-dihydroimidazole
CID 54420870
(7Z)-1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
CID 57785784
1,3-dimethyl-2-methylidene-5,8-dihydro-4H-1,3,6-triazocine
CID 57785786
(1Z,6Z)-3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
CID 57785825
(1Z)-3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine
CID 57786161
3,5-Dimethyl-4-methylidene-2,6-dihydro-1,3,5-triazepine
CID 57786247
(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene
CID 67769658
2-Imidazol-2-ylidene-1,3-dimethylimidazole
CID 69293619
3,5-dimethyl-4-methylidene-2H-1,3,5-triazocine
CID 76605143
3,5-dimethyl-4-methylidene-6,7-dihydro-2H-1,3,5-triazocine
CID 76605174
3-Ethenyl-2-methyl-2,4-dihydroimidazole
CID 90776816
ethane;N-methylethanimine;1-N,1-N,1-N',1-N'-tetramethylethene-1,1-diamine
CID 143837560

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine?
The IUPAC name of 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine (CID 76605140) is 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine.
What is the SMILES notation for 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine?
The canonical SMILES for 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine is C=C1N(C)C=C/N=C\CN1C.
What is the InChIKey of 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine?
The InChIKey is ASJFGMYFXVXPHK-SLANBERKSA-N. The full InChI is InChI=1S/C8H13N3/c1-8-10(2)6-4-9-5-7-11(8)3/h4-6H,1,7H2,2-3H3/b6-4?,9-5-.
What are the key properties of 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine?
1,3-dimethyl-2-methylidene-4H-1,3,6-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 1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine is sourced from PubChem (CID 76605140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).