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

C15H19ClN4O — CID 167866383

IUPAC(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1nc(C)n(C2CN(C[C@H](O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C15H19ClN4O/c1-10-17-11(2)20(18-10)14-7-19(8-14)9-15(21)12-3-5-13(16)6-4-12/h3-6,14-15,21H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyATOAUDPYGNYMLB-HNNXBMFYSA-N
MW306.80 g/mol
LogP2.14
Rot. Bonds4

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

(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol (PubChem CID 167866383) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol
PubChem CID167866383
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1nc(C)n(C2CN(C[C@H](O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C15H19ClN4O/c1-10-17-11(2)20(18-10)14-7-19(8-14)9-15(21)12-3-5-13(16)6-4-12/h3-6,14-15,21H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyATOAUDPYGNYMLB-HNNXBMFYSA-N
XLogP2.14
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol (CID 167866383) is (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol is Cc1nc(C)n(C2CN(C[C@H](O)c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol?
The InChIKey is ATOAUDPYGNYMLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-17-11(2)20(18-10)14-7-19(8-14)9-15(21)12-3-5-13(16)6-4-12/h3-6,14-15,21H,7-9H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol?
(1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol has a molecular weight of 306.80 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]ethanol is sourced from PubChem (CID 167866383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).