2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol

C15H20N4O2 — CID 46863265

IUPAC2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol
SMILESOC(Cn1cc(CN2CCOCC2)nn1)c1ccccc1
InChIInChI=1S/C15H20N4O2/c20-15(13-4-2-1-3-5-13)12-19-11-14(16-17-19)10-18-6-8-21-9-7-18/h1-5,11,15,20H,6-10,12H2
InChIKeySILLFHORCUSIQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol

2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol (PubChem CID 46863265) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol
PubChem CID46863265
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol
SMILESOC(Cn1cc(CN2CCOCC2)nn1)c1ccccc1
InChIInChI=1S/C15H20N4O2/c20-15(13-4-2-1-3-5-13)12-19-11-14(16-17-19)10-18-6-8-21-9-7-18/h1-5,11,15,20H,6-10,12H2
InChIKeySILLFHORCUSIQB-UHFFFAOYSA-N
XLogP0.84
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol (CID 46863265) is 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol is OC(Cn1cc(CN2CCOCC2)nn1)c1ccccc1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol?
The InChIKey is SILLFHORCUSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(13-4-2-1-3-5-13)12-19-11-14(16-17-19)10-18-6-8-21-9-7-18/h1-5,11,15,20H,6-10,12H2.
What are the key properties of 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol?
2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol has a molecular weight of 288.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 46863265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).