2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene

C12H16N2 — CID 118055232

IUPAC2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
SMILESCC1Cc2cccc3c2N1CCNC3
InChIInChI=1S/C12H16N2/c1-9-7-10-3-2-4-11-8-13-5-6-14(9)12(10)11/h2-4,9,13H,5-8H2,1H3
InChIKeyMTUQMRYBVFKQLU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene

2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene (PubChem CID 118055232) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.

Molecular Properties

Compound Name2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
PubChem CID118055232
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
SMILESCC1Cc2cccc3c2N1CCNC3
InChIInChI=1S/C12H16N2/c1-9-7-10-3-2-4-11-8-13-5-6-14(9)12(10)11/h2-4,9,13H,5-8H2,1H3
InChIKeyMTUQMRYBVFKQLU-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The IUPAC name of 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene (CID 118055232) is 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.
What is the SMILES notation for 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The canonical SMILES for 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene is CC1Cc2cccc3c2N1CCNC3.
What is the InChIKey of 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The InChIKey is MTUQMRYBVFKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-7-10-3-2-4-11-8-13-5-6-14(9)12(10)11/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene has a molecular weight of 188.27 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene is sourced from PubChem (CID 118055232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).