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

C15H14FN5O — CID 130309762

IUPAC2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(F)cc3C)nn2)nc1
InChIInChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-13-8-21(20-19-13)14-4-3-12(16)5-11(14)2/h3-8H,9H2,1-2H3
InChIKeyRWXQDOOQFJCEGO-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.39
Rot. Bonds4

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

2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine (PubChem CID 130309762) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
PubChem CID130309762
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(F)cc3C)nn2)nc1
InChIInChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-13-8-21(20-19-13)14-4-3-12(16)5-11(14)2/h3-8H,9H2,1-2H3
InChIKeyRWXQDOOQFJCEGO-UHFFFAOYSA-N
XLogP2.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine (CID 130309762) is 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCc2cn(-c3ccc(F)cc3C)nn2)nc1.
What is the InChIKey of 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The InChIKey is RWXQDOOQFJCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-13-8-21(20-19-13)14-4-3-12(16)5-11(14)2/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine has a molecular weight of 299.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 130309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).