(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

C12H17N3 — CID 59535791

IUPAC(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCc1ccc(N2C[C@H]3CC[C@@H](C2)N3)nc1
InChIInChI=1S/C12H17N3/c1-9-2-5-12(13-6-9)15-7-10-3-4-11(8-15)14-10/h2,5-6,10-11,14H,3-4,7-8H2,1H3/t10-,11+
InChIKeyHBFJWHFDLVRQLD-PHIMTYICSA-N
MW203.29 g/mol
LogP1.33
Rot. Bonds1

About (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 59535791) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID59535791
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCc1ccc(N2C[C@H]3CC[C@@H](C2)N3)nc1
InChIInChI=1S/C12H17N3/c1-9-2-5-12(13-6-9)15-7-10-3-4-11(8-15)14-10/h2,5-6,10-11,14H,3-4,7-8H2,1H3/t10-,11+
InChIKeyHBFJWHFDLVRQLD-PHIMTYICSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (CID 59535791) is (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3)nc1.
What is the InChIKey of (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is HBFJWHFDLVRQLD-PHIMTYICSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-2-5-12(13-6-9)15-7-10-3-4-11(8-15)14-10/h2,5-6,10-11,14H,3-4,7-8H2,1H3/t10-,11+.
What are the key properties of (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 203.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 59535791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).