10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C11H12ClN3 — CID 1477880

IUPAC10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2c(Cl)c(C)nn2c2c1CCC2
InChIInChI=1S/C11H12ClN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3
InChIKeyXITROMIMEXHPLF-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.49
Rot. Bonds

About 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 1477880) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID1477880
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2c(Cl)c(C)nn2c2c1CCC2
InChIInChI=1S/C11H12ClN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3
InChIKeyXITROMIMEXHPLF-UHFFFAOYSA-N
XLogP2.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 1477880) is 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2c(Cl)c(C)nn2c2c1CCC2.
What is the InChIKey of 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is XITROMIMEXHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3.
What are the key properties of 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 221.69 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 1477880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).