(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

C12H17N3 — CID 23634543

IUPAC(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1cc(N2C[C@H]3CN[C@H]3C2)cnc1C
InChIInChI=1S/C12H17N3/c1-8-3-11(5-13-9(8)2)15-6-10-4-14-12(10)7-15/h3,5,10,12,14H,4,6-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyQEYUSQRGGVRBMY-PWSUYJOCSA-N
MW203.29 g/mol
LogP1.11
Rot. Bonds1

About (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 23634543) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID23634543
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1cc(N2C[C@H]3CN[C@H]3C2)cnc1C
InChIInChI=1S/C12H17N3/c1-8-3-11(5-13-9(8)2)15-6-10-4-14-12(10)7-15/h3,5,10,12,14H,4,6-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyQEYUSQRGGVRBMY-PWSUYJOCSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (CID 23634543) is (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is Cc1cc(N2C[C@H]3CN[C@H]3C2)cnc1C.
What is the InChIKey of (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is QEYUSQRGGVRBMY-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-3-11(5-13-9(8)2)15-6-10-4-14-12(10)7-15/h3,5,10,12,14H,4,6-7H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 203.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 23634543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).