(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C16H19N5O2 — CID 121178262

IUPAC(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2nccn2)C3)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-2-11(10-17-15)16(22)20-12-3-4-13(20)9-14(8-12)21-18-6-7-19-21/h2,5-7,10,12-14H,3-4,8-9H2,1H3
InChIKeyUJHIYNAGGWJTGE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.69
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 121178262) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID121178262
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2nccn2)C3)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-2-11(10-17-15)16(22)20-12-3-4-13(20)9-14(8-12)21-18-6-7-19-21/h2,5-7,10,12-14H,3-4,8-9H2,1H3
InChIKeyUJHIYNAGGWJTGE-UHFFFAOYSA-N
XLogP1.69
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone
CID 126855379
pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178011
(4-propan-2-yloxyphenyl)-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129416336
N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610340
4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]benzonitrile
CID 119101707
(3,5-ditert-butylphenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178102
5,6,7,8-tetrahydronaphthalen-2-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178303
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(4-thiophen-2-ylphenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178152
(2-chlorophenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178160
1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129417106
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 121178262) is (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is COc1ccc(C(=O)N2C3CCC2CC(n2nccn2)C3)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is UJHIYNAGGWJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-15-5-2-11(10-17-15)16(22)20-12-3-4-13(20)9-14(8-12)21-18-6-7-19-21/h2,5-7,10,12-14H,3-4,8-9H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 121178262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).