11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one

C10H12ClN3O — CID 156734291

IUPAC11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
SMILESCC12CCCN1c1cc(Cl)nc(=O)n1C2
InChIInChI=1S/C10H12ClN3O/c1-10-3-2-4-14(10)8-5-7(11)12-9(15)13(8)6-10/h5H,2-4,6H2,1H3
InChIKeyLGJHBOJCGFJEHJ-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.27
Rot. Bonds

About 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one

11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one (PubChem CID 156734291) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.

Molecular Properties

Compound Name11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
PubChem CID156734291
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
SMILESCC12CCCN1c1cc(Cl)nc(=O)n1C2
InChIInChI=1S/C10H12ClN3O/c1-10-3-2-4-14(10)8-5-7(11)12-9(15)13(8)6-10/h5H,2-4,6H2,1H3
InChIKeyLGJHBOJCGFJEHJ-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The IUPAC name of 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one (CID 156734291) is 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.
What is the SMILES notation for 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The canonical SMILES for 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one is CC12CCCN1c1cc(Cl)nc(=O)n1C2.
What is the InChIKey of 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The InChIKey is LGJHBOJCGFJEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-10-3-2-4-14(10)8-5-7(11)12-9(15)13(8)6-10/h5H,2-4,6H2,1H3.
What are the key properties of 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one has a molecular weight of 225.68 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-6-methyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one is sourced from PubChem (CID 156734291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).