2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine

C16H15F2N5O — CID 130302262

IUPAC2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2nnn(-c3cccc(C(F)F)c3)c2C)nc1
InChIInChI=1S/C16H15F2N5O/c1-10-7-19-16(20-8-10)24-9-14-11(2)23(22-21-14)13-5-3-4-12(6-13)15(17)18/h3-8,15H,9H2,1-2H3
InChIKeyVCMPLIZYKYHCOI-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.19
Rot. Bonds5

About 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine

2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine (PubChem CID 130302262) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine
PubChem CID130302262
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2nnn(-c3cccc(C(F)F)c3)c2C)nc1
InChIInChI=1S/C16H15F2N5O/c1-10-7-19-16(20-8-10)24-9-14-11(2)23(22-21-14)13-5-3-4-12(6-13)15(17)18/h3-8,15H,9H2,1-2H3
InChIKeyVCMPLIZYKYHCOI-UHFFFAOYSA-N
XLogP3.19
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine (CID 130302262) is 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCc2nnn(-c3cccc(C(F)F)c3)c2C)nc1.
What is the InChIKey of 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine?
The InChIKey is VCMPLIZYKYHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-10-7-19-16(20-8-10)24-9-14-11(2)23(22-21-14)13-5-3-4-12(6-13)15(17)18/h3-8,15H,9H2,1-2H3.
What are the key properties of 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine?
2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine has a molecular weight of 331.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 130302262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).