2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine

C15H14FN5O2 — CID 130309431

IUPAC2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine
SMILESCOc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C15H14FN5O2/c1-10-5-12(3-4-14(10)16)21-8-11(19-20-21)9-23-15-17-6-13(22-2)7-18-15/h3-8H,9H2,1-2H3
InChIKeyUBQWOGVNUZXGJA-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.09
Rot. Bonds5

About 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine

2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine (PubChem CID 130309431) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine
PubChem CID130309431
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine
SMILESCOc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C15H14FN5O2/c1-10-5-12(3-4-14(10)16)21-8-11(19-20-21)9-23-15-17-6-13(22-2)7-18-15/h3-8H,9H2,1-2H3
InChIKeyUBQWOGVNUZXGJA-UHFFFAOYSA-N
XLogP2.09
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine?
The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine (CID 130309431) is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine.
What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine?
The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine is COc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1.
What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine?
The InChIKey is UBQWOGVNUZXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-10-5-12(3-4-14(10)16)21-8-11(19-20-21)9-23-15-17-6-13(22-2)7-18-15/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine?
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine has a molecular weight of 315.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methoxypyrimidine is sourced from PubChem (CID 130309431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).