4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine

C17H17Cl2N5O2 — CID 3713628

IUPAC4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C17H17Cl2N5O2/c1-11(26-15-3-2-12(18)10-13(15)19)14-4-5-20-16-21-17(22-24(14)16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyWSZFAMFCUKAGLB-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.41
Rot. Bonds4

About 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine

4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (PubChem CID 3713628) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
PubChem CID3713628
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C17H17Cl2N5O2/c1-11(26-15-3-2-12(18)10-13(15)19)14-4-5-20-16-21-17(22-24(14)16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyWSZFAMFCUKAGLB-UHFFFAOYSA-N
XLogP3.41
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (CID 3713628) is 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is CC(Oc1ccc(Cl)cc1Cl)c1ccnc2nc(N3CCOCC3)nn12.
What is the InChIKey of 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The InChIKey is WSZFAMFCUKAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(26-15-3-2-12(18)10-13(15)19)14-4-5-20-16-21-17(22-24(14)16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine has a molecular weight of 394.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3713628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).