(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol

C15H20N4O — CID 154761276

IUPAC(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol
SMILESCc1nc(C)n(C2CN(C[C@H](O)c3ccccc3)C2)n1
InChIInChI=1S/C15H20N4O/c1-11-16-12(2)19(17-11)14-8-18(9-14)10-15(20)13-6-4-3-5-7-13/h3-7,14-15,20H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyFZPWROBMUXLUQX-HNNXBMFYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds4

About (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol

(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol (PubChem CID 154761276) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol
PubChem CID154761276
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol
SMILESCc1nc(C)n(C2CN(C[C@H](O)c3ccccc3)C2)n1
InChIInChI=1S/C15H20N4O/c1-11-16-12(2)19(17-11)14-8-18(9-14)10-15(20)13-6-4-3-5-7-13/h3-7,14-15,20H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyFZPWROBMUXLUQX-HNNXBMFYSA-N
XLogP1.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol
CID 167866383
2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 167893801
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol (CID 154761276) is (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol is Cc1nc(C)n(C2CN(C[C@H](O)c3ccccc3)C2)n1.
What is the InChIKey of (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol?
The InChIKey is FZPWROBMUXLUQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-16-12(2)19(17-11)14-8-18(9-14)10-15(20)13-6-4-3-5-7-13/h3-7,14-15,20H,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol?
(1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol has a molecular weight of 272.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 154761276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).