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

C16H17FN4O — CID 71701277

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CC(C)C)nn12
InChIInChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-13(21(16)20-15)12-5-4-11(17)9-14(12)22-3/h4-7,9-10H,8H2,1-3H3
InChIKeyGLGIWERHQYDBQW-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.14
Rot. Bonds4

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

7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71701277) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71701277
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CC(C)C)nn12
InChIInChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-13(21(16)20-15)12-5-4-11(17)9-14(12)22-3/h4-7,9-10H,8H2,1-3H3
InChIKeyGLGIWERHQYDBQW-UHFFFAOYSA-N
XLogP3.14
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[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
Jnj-42491293
CID 71461395
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
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11560696
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71701277) is 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(CC(C)C)nn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GLGIWERHQYDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-13(21(16)20-15)12-5-4-11(17)9-14(12)22-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluoro-2-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.34 g/mol, XLogP of 3.14, 4 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-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71701277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).