(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane

C15H19N5O — CID 70675109

IUPAC(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-3-2-12(8-16-15)13-9-20(18-17-13)14-10-19-6-4-11(14)5-7-19/h2-3,8-9,11,14H,4-7,10H2,1H3/t14-/m0/s1
InChIKeyZAJJVDMVNNIVOE-AWEZNQCLSA-N
MW285.35 g/mol
LogP1.62
Rot. Bonds3

About (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane

(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 70675109) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
PubChem CID70675109
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-3-2-12(8-16-15)13-9-20(18-17-13)14-10-19-6-4-11(14)5-7-19/h2-3,8-9,11,14H,4-7,10H2,1H3/t14-/m0/s1
InChIKeyZAJJVDMVNNIVOE-AWEZNQCLSA-N
XLogP1.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane (CID 70675109) is (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane is COc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cn1.
What is the InChIKey of (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is ZAJJVDMVNNIVOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-15-3-2-12(8-16-15)13-9-20(18-17-13)14-10-19-6-4-11(14)5-7-19/h2-3,8-9,11,14H,4-7,10H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 285.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 70675109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).