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

C12H9FN4O — CID 75465996

IUPAC7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2ncnn12
InChIInChI=1S/C12H9FN4O/c1-18-11-6-8(13)2-3-9(11)10-4-5-14-12-15-7-16-17(10)12/h2-7H,1H3
InChIKeyCMDHAJUYGNBTAX-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.94
Rot. Bonds2

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

7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465996) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465996
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2ncnn12
InChIInChI=1S/C12H9FN4O/c1-18-11-6-8(13)2-3-9(11)10-4-5-14-12-15-7-16-17(10)12/h2-7H,1H3
InChIKeyCMDHAJUYGNBTAX-UHFFFAOYSA-N
XLogP1.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-fluoro-2-methoxyphenyl)-[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

Sgc-clk-1
CID 6539389
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. 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
Sdccggsk-0000007.P001
CID 9604943
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465996) is 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2ncnn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CMDHAJUYGNBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-18-11-6-8(13)2-3-9(11)10-4-5-14-12-15-7-16-17(10)12/h2-7H,1H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 244.23 g/mol, XLogP of 1.94, 2 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)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).