5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C12H16N2 — CID 118055306

IUPAC5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C12H16N2/c1-9-2-3-10-8-13-5-7-14-6-4-11(9)12(10)14/h2-3,13H,4-8H2,1H3
InChIKeyYAWTUURYQPWTRK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.46
Rot. Bonds

About 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055306) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055306
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C12H16N2/c1-9-2-3-10-8-13-5-7-14-6-4-11(9)12(10)14/h2-3,13H,4-8H2,1H3
InChIKeyYAWTUURYQPWTRK-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 177102462
5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055298
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055341
5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055302
5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055322
4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 86712750
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124647429
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
6-fluorospiro[1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene-4,1'-cyclobutane]
CID 73388647
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055306) is 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is Cc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is YAWTUURYQPWTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-2-3-10-8-13-5-7-14-6-4-11(9)12(10)14/h2-3,13H,4-8H2,1H3.
What are the key properties of 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 188.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).