(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C18H18FN5O2 — CID 118471441

IUPAC(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)c(C)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H18FN5O2/c1-11-7-13(3-4-14(11)19)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyJKPCOBIUKWTUHL-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.09
Rot. Bonds2

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

(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471441) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471441
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)c(C)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H18FN5O2/c1-11-7-13(3-4-14(11)19)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyJKPCOBIUKWTUHL-UHFFFAOYSA-N
XLogP2.09
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471441) is (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc(F)c(C)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is JKPCOBIUKWTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-7-13(3-4-14(11)19)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).