1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C12H15FN4O — CID 79723844

IUPAC1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O/c1-8(2)17-12(15-7-16-17)5-11(18)10-4-3-9(13)6-14-10/h3-4,6-8,11,18H,5H2,1-2H3
InChIKeyJXYRCXRQCLOJDH-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.67
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 79723844) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID79723844
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O/c1-8(2)17-12(15-7-16-17)5-11(18)10-4-3-9(13)6-14-10/h3-4,6-8,11,18H,5H2,1-2H3
InChIKeyJXYRCXRQCLOJDH-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
CID 105107866
1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 103348045
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115813812
1-(2,4-difluoro-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813820
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 79723844) is 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is CC(C)n1ncnc1CC(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is JXYRCXRQCLOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-8(2)17-12(15-7-16-17)5-11(18)10-4-3-9(13)6-14-10/h3-4,6-8,11,18H,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 250.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 79723844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).