[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C19H21N5O2 — CID 90105596

IUPAC[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)CC(C)O1
InChIInChI=1S/C19H21N5O2/c1-12-10-23(11-13(2)26-12)18(25)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-24(16)17/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22)
InChIKeyFXOAYZVVPMDFSI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds2

About [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 90105596) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID90105596
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)CC(C)O1
InChIInChI=1S/C19H21N5O2/c1-12-10-23(11-13(2)26-12)18(25)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-24(16)17/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22)
InChIKeyFXOAYZVVPMDFSI-UHFFFAOYSA-N
XLogP2.23
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 90105596) is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)CC(C)O1.
What is the InChIKey of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is FXOAYZVVPMDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-10-23(11-13(2)26-12)18(25)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-24(16)17/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22).
What are the key properties of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 90105596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).