(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane

C12H17N3 — CID 66757628

IUPAC(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1ccc(N2CC[C@H]3CN[C@H]3C2)cn1
InChIInChI=1S/C12H17N3/c1-9-2-3-11(7-13-9)15-5-4-10-6-14-12(10)8-15/h2-3,7,10,12,14H,4-6,8H2,1H3/t10-,12-/m0/s1
InChIKeySFZROGZKWMLIIO-JQWIXIFHSA-N
MW203.29 g/mol
LogP1.19
Rot. Bonds1

About (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane

(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane (PubChem CID 66757628) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
PubChem CID66757628
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1ccc(N2CC[C@H]3CN[C@H]3C2)cn1
InChIInChI=1S/C12H17N3/c1-9-2-3-11(7-13-9)15-5-4-10-6-14-12(10)8-15/h2-3,7,10,12,14H,4-6,8H2,1H3/t10-,12-/m0/s1
InChIKeySFZROGZKWMLIIO-JQWIXIFHSA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane (CID 66757628) is (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane is Cc1ccc(N2CC[C@H]3CN[C@H]3C2)cn1.
What is the InChIKey of (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The InChIKey is SFZROGZKWMLIIO-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-2-3-11(7-13-9)15-5-4-10-6-14-12(10)8-15/h2-3,7,10,12,14H,4-6,8H2,1H3/t10-,12-/m0/s1.
What are the key properties of (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 203.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 66757628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).