4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine

C18H23N7O2 — CID 170394744

IUPAC4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESc1cn(C2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1
InChIInChI=1S/C18H23N7O2/c1-3-15(4-2-14(1)24-6-5-19-13-24)27-18-22-17(23-7-9-26-10-8-23)11-16-20-12-21-25(16)18/h5-6,11-15H,1-4,7-10H2
InChIKeyHZZZILAWGUCHLT-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.72
Rot. Bonds4

About 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine

4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine (PubChem CID 170394744) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine
PubChem CID170394744
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESc1cn(C2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1
InChIInChI=1S/C18H23N7O2/c1-3-15(4-2-14(1)24-6-5-19-13-24)27-18-22-17(23-7-9-26-10-8-23)11-16-20-12-21-25(16)18/h5-6,11-15H,1-4,7-10H2
InChIKeyHZZZILAWGUCHLT-UHFFFAOYSA-N
XLogP1.72
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine (CID 170394744) is 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine is c1cn(C2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1.
What is the InChIKey of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine?
The InChIKey is HZZZILAWGUCHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-15(4-2-14(1)24-6-5-19-13-24)27-18-22-17(23-7-9-26-10-8-23)11-16-20-12-21-25(16)18/h5-6,11-15H,1-4,7-10H2.
What are the key properties of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine?
4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine has a molecular weight of 369.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 170394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).