1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

C20H18FN5O2 — CID 133272686

IUPAC1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESOC(CNc1cc(-c2ccccc2)nc2ncnn12)COc1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c21-15-6-8-17(9-7-15)28-12-16(27)11-22-19-10-18(14-4-2-1-3-5-14)25-20-23-13-24-26(19)20/h1-10,13,16,22,27H,11-12H2
InChIKeyYWTCJVRIHPENJL-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.78
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (PubChem CID 133272686) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
PubChem CID133272686
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESOC(CNc1cc(-c2ccccc2)nc2ncnn12)COc1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c21-15-6-8-17(9-7-15)28-12-16(27)11-22-19-10-18(14-4-2-1-3-5-14)25-20-23-13-24-26(19)20/h1-10,13,16,22,27H,11-12H2
InChIKeyYWTCJVRIHPENJL-UHFFFAOYSA-N
XLogP2.78
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (CID 133272686) is 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is OC(CNc1cc(-c2ccccc2)nc2ncnn12)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The InChIKey is YWTCJVRIHPENJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-15-6-8-17(9-7-15)28-12-16(27)11-22-19-10-18(14-4-2-1-3-5-14)25-20-23-13-24-26(19)20/h1-10,13,16,22,27H,11-12H2.
What are the key properties of 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol has a molecular weight of 379.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is sourced from PubChem (CID 133272686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).