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

C20H26N8O3 — CID 170394747

IUPAC5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
SMILESCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1
InChIInChI=1S/C20H26N8O3/c1-29-19-12-21-16(11-22-19)25-14-2-4-15(5-3-14)31-20-26-18(27-6-8-30-9-7-27)10-17-23-13-24-28(17)20/h10-15H,2-9H2,1H3,(H,21,25)
InChIKeyKNRVMUDKEDNCIP-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.56
Rot. Bonds6

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

5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine (PubChem CID 170394747) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
PubChem CID170394747
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
SMILESCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1
InChIInChI=1S/C20H26N8O3/c1-29-19-12-21-16(11-22-19)25-14-2-4-15(5-3-14)31-20-26-18(27-6-8-30-9-7-27)10-17-23-13-24-28(17)20/h10-15H,2-9H2,1H3,(H,21,25)
InChIKeyKNRVMUDKEDNCIP-UHFFFAOYSA-N
XLogP1.56
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The IUPAC name of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine (CID 170394747) is 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine.
What is the SMILES notation for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The canonical SMILES for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine is COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1.
What is the InChIKey of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The InChIKey is KNRVMUDKEDNCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-29-19-12-21-16(11-22-19)25-14-2-4-15(5-3-14)31-20-26-18(27-6-8-30-9-7-27)10-17-23-13-24-28(17)20/h10-15H,2-9H2,1H3,(H,21,25).
What are the key properties of 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine has a molecular weight of 426.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrazin-2-amine is sourced from PubChem (CID 170394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).