4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine

C17H16F3N5 — CID 56712768

IUPAC4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(Cn2cc(CCc3ccccc3)nn2)n1
InChIInChI=1S/C17H16F3N5/c1-12-9-15(17(18,19)20)22-16(21-12)11-25-10-14(23-24-25)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGVWFUQGOOHXIJY-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.23
Rot. Bonds5

About 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 56712768) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine
PubChem CID56712768
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(Cn2cc(CCc3ccccc3)nn2)n1
InChIInChI=1S/C17H16F3N5/c1-12-9-15(17(18,19)20)22-16(21-12)11-25-10-14(23-24-25)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGVWFUQGOOHXIJY-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
2-[4-[4-[2-(1-benzyltriazol-4-yl)ethyl]phenyl]phenyl]-2-methylpropanoic acid
CID 90047737
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-benzyl-4-pentyltriazole
CID 71590860
1-benzyl-4-[2-(5-chloro-2-methoxyphenyl)ethyl]triazole
CID 112718716
1-benzyl-4-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]triazole
CID 112718326
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine (CID 56712768) is 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(Cn2cc(CCc3ccccc3)nn2)n1.
What is the InChIKey of 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is GVWFUQGOOHXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-12-9-15(17(18,19)20)22-16(21-12)11-25-10-14(23-24-25)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 347.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56712768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).