7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H13FN4O — CID 3844416

IUPAC7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1
InChIInChI=1S/C18H13FN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2
InChIKeyYSHMQNGWXCFEAO-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.51
Rot. Bonds4

About 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3844416) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3844416
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1
InChIInChI=1S/C18H13FN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2
InChIKeyYSHMQNGWXCFEAO-UHFFFAOYSA-N
XLogP3.51
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mak-683
CID 121412508
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
Sdccggsk-0000007.P001
CID 9604943
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3844416) is 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YSHMQNGWXCFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2.
What are the key properties of 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 320.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(4-fluorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3844416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).