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

C17H16ClN5O2 — CID 126615651

IUPAC(3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cccc(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H16ClN5O2/c1-11-7-14(23-17(21-11)19-10-20-23)15-9-22(5-6-25-15)16(24)12-3-2-4-13(18)8-12/h2-4,7-8,10,15H,5-6,9H2,1H3
InChIKeyLFQBEAAYKPDGED-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.30
Rot. Bonds2

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

(3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 126615651) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID126615651
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name(3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cccc(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H16ClN5O2/c1-11-7-14(23-17(21-11)19-10-20-23)15-9-22(5-6-25-15)16(24)12-3-2-4-13(18)8-12/h2-4,7-8,10,15H,5-6,9H2,1H3
InChIKeyLFQBEAAYKPDGED-UHFFFAOYSA-N
XLogP2.30
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 126615651) is (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3cccc(Cl)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is LFQBEAAYKPDGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-11-7-14(23-17(21-11)19-10-20-23)15-9-22(5-6-25-15)16(24)12-3-2-4-13(18)8-12/h2-4,7-8,10,15H,5-6,9H2,1H3.
What are the key properties of (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 357.80 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126615651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).