2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

C17H25N7O2 — CID 29258648

IUPAC2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESOCCc1cn(C2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1
InChIInChI=1S/C17H25N7O2/c25-8-3-14-12-24(21-20-14)15-1-4-22(5-2-15)16-11-17(19-13-18-16)23-6-9-26-10-7-23/h11-13,15,25H,1-10H2
InChIKeyZBGJODNITFBXEB-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.28
Rot. Bonds5

About 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 29258648) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID29258648
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESOCCc1cn(C2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1
InChIInChI=1S/C17H25N7O2/c25-8-3-14-12-24(21-20-14)15-1-4-22(5-2-15)16-11-17(19-13-18-16)23-6-9-26-10-7-23/h11-13,15,25H,1-10H2
InChIKeyZBGJODNITFBXEB-UHFFFAOYSA-N
XLogP0.28
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (CID 29258648) is 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is OCCc1cn(C2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1.
What is the InChIKey of 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is ZBGJODNITFBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c25-8-3-14-12-24(21-20-14)15-1-4-22(5-2-15)16-11-17(19-13-18-16)23-6-9-26-10-7-23/h11-13,15,25H,1-10H2.
What are the key properties of 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 29258648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).