2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol

C16H15ClFN5O2 — CID 130309881

IUPAC2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(OCc2cn(-c3cccc(Cl)c3F)nn2)nc1
InChIInChI=1S/C16H15ClFN5O2/c1-16(2,24)10-6-19-15(20-7-10)25-9-11-8-23(22-21-11)13-5-3-4-12(17)14(13)18/h3-8,24H,9H2,1-2H3
InChIKeyQEURAYQJZGAICJ-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol

2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol (PubChem CID 130309881) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
PubChem CID130309881
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(OCc2cn(-c3cccc(Cl)c3F)nn2)nc1
InChIInChI=1S/C16H15ClFN5O2/c1-16(2,24)10-6-19-15(20-7-10)25-9-11-8-23(22-21-11)13-5-3-4-12(17)14(13)18/h3-8,24H,9H2,1-2H3
InChIKeyQEURAYQJZGAICJ-UHFFFAOYSA-N
XLogP2.66
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine
CID 130309739
2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
CID 130309875
2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
CID 130309519
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
CID 163509573
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309886
1-[2-[[1-[3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 130309630
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309889
2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309762
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
3-[1-(2,3-difluorophenyl)triazol-4-yl]-2,2-dimethylpropan-1-ol
CID 139019704
2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
CID 130309822
1-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]propan-1-amine
CID 106226838

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol (CID 130309881) is 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol is CC(C)(O)c1cnc(OCc2cn(-c3cccc(Cl)c3F)nn2)nc1.
What is the InChIKey of 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
The InChIKey is QEURAYQJZGAICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-16(2,24)10-6-19-15(20-7-10)25-9-11-8-23(22-21-11)13-5-3-4-12(17)14(13)18/h3-8,24H,9H2,1-2H3.
What are the key properties of 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol?
2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol has a molecular weight of 363.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3-chloro-2-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 130309881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).