2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride

C11H13ClN2 — CID 3041084

IUPAC2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride
SMILESCl.Cn1cc2c3c(cccc31)CNC2
InChIInChI=1S/C11H12N2.ClH/c1-13-7-9-6-12-5-8-3-2-4-10(13)11(8)9;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyLXPWNKJENADVCP-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.20
Rot. Bonds

About 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride

2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride (PubChem CID 3041084) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride
PubChem CID3041084
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride
SMILESCl.Cn1cc2c3c(cccc31)CNC2
InChIInChI=1S/C11H12N2.ClH/c1-13-7-9-6-12-5-8-3-2-4-10(13)11(8)9;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyLXPWNKJENADVCP-UHFFFAOYSA-N
XLogP2.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride?
The IUPAC name of 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride (CID 3041084) is 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride.
What is the SMILES notation for 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride?
The canonical SMILES for 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride is Cl.Cn1cc2c3c(cccc31)CNC2.
What is the InChIKey of 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride?
The InChIKey is LXPWNKJENADVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-13-7-9-6-12-5-8-3-2-4-10(13)11(8)9;/h2-4,7,12H,5-6H2,1H3;1H.
What are the key properties of 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride?
2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride is sourced from PubChem (CID 3041084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).