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

C17H15ClFN5O2 — CID 118471039

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(F)cc(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-4-14(24-17(22-10)20-9-21-24)15-8-23(2-3-26-15)16(25)11-5-12(18)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3
InChIKeyJDAMTMLLPUZWJK-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.44
Rot. Bonds2

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

(3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471039) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471039
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC Name(3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(F)cc(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-4-14(24-17(22-10)20-9-21-24)15-8-23(2-3-26-15)16(25)11-5-12(18)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3
InChIKeyJDAMTMLLPUZWJK-UHFFFAOYSA-N
XLogP2.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471039) is (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3cc(F)cc(Cl)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is JDAMTMLLPUZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-10-4-14(24-17(22-10)20-9-21-24)15-8-23(2-3-26-15)16(25)11-5-12(18)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3.
What are the key properties of (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 375.79 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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