7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H15FN4O — CID 75465598

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C(C)C)nn12
InChIInChI=1S/C15H15FN4O/c1-9(2)14-18-15-17-7-6-12(20(15)19-14)11-5-4-10(16)8-13(11)21-3/h4-9H,1-3H3
InChIKeyUOOFITNBJFNZLG-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.06
Rot. Bonds3

About 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465598) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465598
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C(C)C)nn12
InChIInChI=1S/C15H15FN4O/c1-9(2)14-18-15-17-7-6-12(20(15)19-14)11-5-4-10(16)8-13(11)21-3/h4-9H,1-3H3
InChIKeyUOOFITNBJFNZLG-UHFFFAOYSA-N
XLogP3.06
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Sdccggsk-0000007.P001
CID 9604943
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465598) is 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(C(C)C)nn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UOOFITNBJFNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9(2)14-18-15-17-7-6-12(20(15)19-14)11-5-4-10(16)8-13(11)21-3/h4-9H,1-3H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 286.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).