(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine

C12H15ClN4O — CID 170677801

IUPAC(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3nc(Cl)nn3c2)C[C@@H](C)O1
InChIInChI=1S/C12H15ClN4O/c1-8-5-16(6-9(2)18-8)10-3-4-11-14-12(13)15-17(11)7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyLWUIQPJSEZYROH-RKDXNWHRSA-N
MW266.73 g/mol
LogP2.00
Rot. Bonds1

About (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine

(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine (PubChem CID 170677801) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine
PubChem CID170677801
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3nc(Cl)nn3c2)C[C@@H](C)O1
InChIInChI=1S/C12H15ClN4O/c1-8-5-16(6-9(2)18-8)10-3-4-11-14-12(13)15-17(11)7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyLWUIQPJSEZYROH-RKDXNWHRSA-N
XLogP2.00
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine (CID 170677801) is (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2ccc3nc(Cl)nn3c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine?
The InChIKey is LWUIQPJSEZYROH-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8-5-16(6-9(2)18-8)10-3-4-11-14-12(13)15-17(11)7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine?
(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine has a molecular weight of 266.73 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 170677801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).