N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine

C20H23F3N8O2 — CID 170394751

IUPACN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1nccnc1NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1
InChIInChI=1S/C20H23F3N8O2/c21-20(22,23)17-18(25-6-5-24-17)28-13-1-3-14(4-2-13)33-19-29-16(30-7-9-32-10-8-30)11-15-26-12-27-31(15)19/h5-6,11-14H,1-4,7-10H2,(H,25,28)
InChIKeyBEAYPQHHVWXAHP-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.57
Rot. Bonds5

About N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine

N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 170394751) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID170394751
Molecular FormulaC20H23F3N8O2
Molecular Weight464.45 g/mol
Exact Mass464.19
IUPAC NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1nccnc1NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1
InChIInChI=1S/C20H23F3N8O2/c21-20(22,23)17-18(25-6-5-24-17)28-13-1-3-14(4-2-13)33-19-29-16(30-7-9-32-10-8-30)11-15-26-12-27-31(15)19/h5-6,11-14H,1-4,7-10H2,(H,25,28)
InChIKeyBEAYPQHHVWXAHP-UHFFFAOYSA-N
XLogP2.57
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-fluoro-N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394664
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170338277
5-fluoro-4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 170394752
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 170394753
5-methyl-N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170338271
4-methyl-N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170338273
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394462
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrazin-2-amine
CID 170394465
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 170394476
N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394590
5-methoxy-N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394658
N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrazin-2-amine
CID 170394661

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine (CID 170394751) is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)c1nccnc1NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1.
What is the InChIKey of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BEAYPQHHVWXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c21-20(22,23)17-18(25-6-5-24-17)28-13-1-3-14(4-2-13)33-19-29-16(30-7-9-32-10-8-30)11-15-26-12-27-31(15)19/h5-6,11-14H,1-4,7-10H2,(H,25,28).
What are the key properties of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine?
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 464.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 170394751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).