3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C16H21N7 — CID 97195972

IUPAC3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC[C@@H](c2cn(Cc3nnc4ccccn34)nn2)C1
InChIInChI=1S/C16H21N7/c1-2-21-8-5-6-13(10-21)14-11-22(20-17-14)12-16-19-18-15-7-3-4-9-23(15)16/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m1/s1
InChIKeyTYCODFNLXNBLIS-CYBMUJFWSA-N
MW311.39 g/mol
LogP1.57
Rot. Bonds4

About 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 97195972) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID97195972
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC[C@@H](c2cn(Cc3nnc4ccccn34)nn2)C1
InChIInChI=1S/C16H21N7/c1-2-21-8-5-6-13(10-21)14-11-22(20-17-14)12-16-19-18-15-7-3-4-9-23(15)16/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m1/s1
InChIKeyTYCODFNLXNBLIS-CYBMUJFWSA-N
XLogP1.57
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 97195972) is 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC[C@@H](c2cn(Cc3nnc4ccccn34)nn2)C1.
What is the InChIKey of 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is TYCODFNLXNBLIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N7/c1-2-21-8-5-6-13(10-21)14-11-22(20-17-14)12-16-19-18-15-7-3-4-9-23(15)16/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 311.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 97195972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).