3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C20H21N5O3 — CID 118472569

IUPAC3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)C3CCc4ccccc4O3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H21N5O3/c1-13-10-15(25-20(23-13)21-12-22-25)18-11-24(8-9-27-18)19(26)17-7-6-14-4-2-3-5-16(14)28-17/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyFQKGQFNZMRSZIF-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.73
Rot. Bonds2

About 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118472569) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118472569
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)C3CCc4ccccc4O3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H21N5O3/c1-13-10-15(25-20(23-13)21-12-22-25)18-11-24(8-9-27-18)19(26)17-7-6-14-4-2-3-5-16(14)28-17/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyFQKGQFNZMRSZIF-UHFFFAOYSA-N
XLogP1.73
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118472569) is 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)C3CCc4ccccc4O3)CCO2)n2ncnc2n1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is FQKGQFNZMRSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-10-15(25-20(23-13)21-12-22-25)18-11-24(8-9-27-18)19(26)17-7-6-14-4-2-3-5-16(14)28-17/h2-5,10,12,17-18H,6-9,11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118472569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).