(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol

C15H21N3O2 — CID 95129186

IUPAC(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc(C(C)C)nn1-c1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-12(19)15-16-14(10(2)3)17-18(15)11-8-6-7-9-13(11)20-4/h6-10,12,19H,5H2,1-4H3/t12-/m1/s1
InChIKeyGTSMACDMWGLXFQ-GFCCVEGCSA-N
MW275.35 g/mol
LogP2.84
Rot. Bonds5

About (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol

(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 95129186) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID95129186
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc(C(C)C)nn1-c1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-12(19)15-16-14(10(2)3)17-18(15)11-8-6-7-9-13(11)20-4/h6-10,12,19H,5H2,1-4H3/t12-/m1/s1
InChIKeyGTSMACDMWGLXFQ-GFCCVEGCSA-N
XLogP2.84
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol with MolForge

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Related Compounds

5-[2-[(R)-ethylsulfinyl]ethyl]-1-(2-methoxyphenyl)-3-propan-2-yl-1,2,4-triazole
CID 95125175
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
CID 95140379
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
3-tert-butyl-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 58171700
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol (CID 95129186) is (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol is CC[C@@H](O)c1nc(C(C)C)nn1-c1ccccc1OC.
What is the InChIKey of (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is GTSMACDMWGLXFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-12(19)15-16-14(10(2)3)17-18(15)11-8-6-7-9-13(11)20-4/h6-10,12,19H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol?
(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 95129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).