2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine

C15H13ClFN5O — CID 130309889

IUPAC2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
SMILESCCc1cnc(OCc2cn(-c3ccc(F)c(Cl)c3)nn2)nc1
InChIInChI=1S/C15H13ClFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3
InChIKeyHULXCRLXLOALTM-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.99
Rot. Bonds5

About 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine

2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine (PubChem CID 130309889) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
PubChem CID130309889
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
SMILESCCc1cnc(OCc2cn(-c3ccc(F)c(Cl)c3)nn2)nc1
InChIInChI=1S/C15H13ClFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3
InChIKeyHULXCRLXLOALTM-UHFFFAOYSA-N
XLogP2.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309886
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309441
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309921
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302350
2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309435
(1S)-1-[2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 175152325
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-(difluoromethoxy)pyrimidine
CID 130309396
2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline
CID 130321075
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-5-ol
CID 130320947
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(3-fluoro-3-methylazetidin-1-yl)pyrimidine
CID 130309711
2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
CID 130309822

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The IUPAC name of 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine (CID 130309889) is 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine.
What is the SMILES notation for 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The canonical SMILES for 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine is CCc1cnc(OCc2cn(-c3ccc(F)c(Cl)c3)nn2)nc1.
What is the InChIKey of 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The InChIKey is HULXCRLXLOALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3.
What are the key properties of 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine has a molecular weight of 333.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine is sourced from PubChem (CID 130309889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).