pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C15H17N5O — CID 121178011

IUPACpyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cccnc1)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H17N5O/c21-15(11-2-1-5-16-10-11)19-12-3-4-13(19)9-14(8-12)20-17-6-7-18-20/h1-2,5-7,10,12-14H,3-4,8-9H2
InChIKeyAYEQMROBZBVDTL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.68
Rot. Bonds2

About pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 121178011) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID121178011
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Namepyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cccnc1)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H17N5O/c21-15(11-2-1-5-16-10-11)19-12-3-4-13(19)9-14(8-12)20-17-6-7-18-20/h1-2,5-7,10,12-14H,3-4,8-9H2
InChIKeyAYEQMROBZBVDTL-UHFFFAOYSA-N
XLogP1.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178262
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]benzonitrile
CID 119101707
(2-chlorophenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178160
(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
(4-thiophen-2-ylphenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178152
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
CID 122270369
1,2-oxazol-5-yl-[(1S,5S)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129417106
[(1S,3R,4S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 98057399
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186120

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 121178011) is pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1cccnc1)N1C2CCC1CC(n1nccn1)C2.
What is the InChIKey of pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is AYEQMROBZBVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(11-2-1-5-16-10-11)19-12-3-4-13(19)9-14(8-12)20-17-6-7-18-20/h1-2,5-7,10,12-14H,3-4,8-9H2.
What are the key properties of pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 283.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 121178011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).