2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine

C15H13F2N5O2 — CID 130309646

IUPAC2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3cccc(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C15H13F2N5O2/c1-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-2-4-13(5-12)24-14(16)17/h2-8,14H,9H2,1H3
InChIKeyQMYPDBMXMVHSTP-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.55
Rot. Bonds6

About 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine

2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine (PubChem CID 130309646) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
PubChem CID130309646
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3cccc(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C15H13F2N5O2/c1-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-2-4-13(5-12)24-14(16)17/h2-8,14H,9H2,1H3
InChIKeyQMYPDBMXMVHSTP-UHFFFAOYSA-N
XLogP2.55
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine (CID 130309646) is 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCc2cn(-c3cccc(OC(F)F)c3)nn2)nc1.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine?
The InChIKey is QMYPDBMXMVHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-2-4-13(5-12)24-14(16)17/h2-8,14H,9H2,1H3.
What are the key properties of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine?
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine has a molecular weight of 333.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 130309646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).