1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol

C16H21FN4O2 — CID 138056501

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C16H21FN4O2/c1-12-8-13(17)2-3-15(12)16(22)11-21-10-14(18-19-21)9-20-4-6-23-7-5-20/h2-3,8,10,16,22H,4-7,9,11H2,1H3
InChIKeyJUPNDIYRAZPEKP-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.29
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol (PubChem CID 138056501) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol
PubChem CID138056501
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)Cn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C16H21FN4O2/c1-12-8-13(17)2-3-15(12)16(22)11-21-10-14(18-19-21)9-20-4-6-23-7-5-20/h2-3,8,10,16,22H,4-7,9,11H2,1H3
InChIKeyJUPNDIYRAZPEKP-UHFFFAOYSA-N
XLogP1.29
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol (CID 138056501) is 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol is Cc1cc(F)ccc1C(O)Cn1cc(CN2CCOCC2)nn1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol?
The InChIKey is JUPNDIYRAZPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-12-8-13(17)2-3-15(12)16(22)11-21-10-14(18-19-21)9-20-4-6-23-7-5-20/h2-3,8,10,16,22H,4-7,9,11H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol has a molecular weight of 320.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 138056501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).