3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine

C11H12N4 — CID 175855193

IUPAC3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3[C@H]4CNC[C@@H]34)nnc2c1
InChIInChI=1S/C11H12N4/c1-2-4-15-9(3-1)13-14-11(15)10-7-5-12-6-8(7)10/h1-4,7-8,10,12H,5-6H2/t7-,8+,10?
InChIKeyZEMQITUBLIKJPU-JWHQNHQBSA-N
MW200.25 g/mol
LogP0.66
Rot. Bonds1

About 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 175855193) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID175855193
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3[C@H]4CNC[C@@H]34)nnc2c1
InChIInChI=1S/C11H12N4/c1-2-4-15-9(3-1)13-14-11(15)10-7-5-12-6-8(7)10/h1-4,7-8,10,12H,5-6H2/t7-,8+,10?
InChIKeyZEMQITUBLIKJPU-JWHQNHQBSA-N
XLogP0.66
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;2,2,2-trifluoroacetic acid
CID 175855323
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
CID 165434280
(1S,6R)-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 94882190
3-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 165435575
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
3-(azetidin-3-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 105445752
(1R,9S)-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;dihydrochloride
CID 172897473
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 175855193) is 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(C3[C@H]4CNC[C@@H]34)nnc2c1.
What is the InChIKey of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZEMQITUBLIKJPU-JWHQNHQBSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-15-9(3-1)13-14-11(15)10-7-5-12-6-8(7)10/h1-4,7-8,10,12H,5-6H2/t7-,8+,10?.
What are the key properties of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 200.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 175855193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).