6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one

C15H17ClN4O — CID 15634091

IUPAC6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one
SMILESCN1C2CCC1CC(n1nnc3ccc(Cl)cc3c1=O)C2
InChIInChI=1S/C15H17ClN4O/c1-19-10-3-4-11(19)8-12(7-10)20-15(21)13-6-9(16)2-5-14(13)17-18-20/h2,5-6,10-12H,3-4,7-8H2,1H3
InChIKeyFCMQXNMRBYNKHC-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.24
Rot. Bonds1

About 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one

6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one (PubChem CID 15634091) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one
PubChem CID15634091
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one
SMILESCN1C2CCC1CC(n1nnc3ccc(Cl)cc3c1=O)C2
InChIInChI=1S/C15H17ClN4O/c1-19-10-3-4-11(19)8-12(7-10)20-15(21)13-6-9(16)2-5-14(13)17-18-20/h2,5-6,10-12H,3-4,7-8H2,1H3
InChIKeyFCMQXNMRBYNKHC-UHFFFAOYSA-N
XLogP2.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one (CID 15634091) is 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one is CN1C2CCC1CC(n1nnc3ccc(Cl)cc3c1=O)C2.
What is the InChIKey of 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one?
The InChIKey is FCMQXNMRBYNKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-10-3-4-11(19)8-12(7-10)20-15(21)13-6-9(16)2-5-14(13)17-18-20/h2,5-6,10-12H,3-4,7-8H2,1H3.
What are the key properties of 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one?
6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one has a molecular weight of 304.78 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 15634091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).