2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine

C15H15N5O — CID 130309674

IUPAC2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine
SMILESCc1cc(C)cc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C15H15N5O/c1-11-6-12(2)8-14(7-11)20-9-13(18-19-20)10-21-15-16-4-3-5-17-15/h3-9H,10H2,1-2H3
InChIKeyCUPJRVGFEUEQFZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.25
Rot. Bonds4

About 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine

2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309674) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309674
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine
SMILESCc1cc(C)cc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C15H15N5O/c1-11-6-12(2)8-14(7-11)20-9-13(18-19-20)10-21-15-16-4-3-5-17-15/h3-9H,10H2,1-2H3
InChIKeyCUPJRVGFEUEQFZ-UHFFFAOYSA-N
XLogP2.25
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine (CID 130309674) is 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine is Cc1cc(C)cc(-n2cc(COc3ncccn3)nn2)c1.
What is the InChIKey of 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is CUPJRVGFEUEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-6-12(2)8-14(7-11)20-9-13(18-19-20)10-21-15-16-4-3-5-17-15/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine?
2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 281.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethylphenyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).