(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol

C17H17ClN4O2 — CID 99780430

IUPAC(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)Cn1cnc(-c2ccccn2)n1
InChIInChI=1S/C17H17ClN4O2/c18-14-6-4-13(5-7-14)10-24-11-15(23)9-22-12-20-17(21-22)16-3-1-2-8-19-16/h1-8,12,15,23H,9-11H2/t15-/m1/s1
InChIKeyKRNIGGXKWDELMZ-OAHLLOKOSA-N
MW344.80 g/mol
LogP2.57
Rot. Bonds7

About (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol

(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 99780430) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
PubChem CID99780430
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)Cn1cnc(-c2ccccn2)n1
InChIInChI=1S/C17H17ClN4O2/c18-14-6-4-13(5-7-14)10-24-11-15(23)9-22-12-20-17(21-22)16-3-1-2-8-19-16/h1-8,12,15,23H,9-11H2/t15-/m1/s1
InChIKeyKRNIGGXKWDELMZ-OAHLLOKOSA-N
XLogP2.57
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94822276
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
CID 5338960
1-[(4-methoxyphenyl)methoxy]-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411365
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
N-[[1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348176
N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348175

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol (CID 99780430) is (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol is O[C@@H](COCc1ccc(Cl)cc1)Cn1cnc(-c2ccccn2)n1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is KRNIGGXKWDELMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-14-6-4-13(5-7-14)10-24-11-15(23)9-22-12-20-17(21-22)16-3-1-2-8-19-16/h1-8,12,15,23H,9-11H2/t15-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 344.80 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 99780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).