5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C12H7F3N6O — CID 135885604

IUPAC5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C12H7F3N6O/c13-12(14,15)9-8(6-16-11(22)17-9)10-18-19-20-21(10)7-4-2-1-3-5-7/h1-6H,(H,16,17,22)
InChIKeyXVDFUZNYOARVMY-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.43
Rot. Bonds2

About 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 135885604) has the molecular formula C12H7F3N6O and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID135885604
Molecular FormulaC12H7F3N6O
Molecular Weight308.22 g/mol
Exact Mass308.06
IUPAC Name5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C12H7F3N6O/c13-12(14,15)9-8(6-16-11(22)17-9)10-18-19-20-21(10)7-4-2-1-3-5-7/h1-6H,(H,16,17,22)
InChIKeyXVDFUZNYOARVMY-UHFFFAOYSA-N
XLogP1.43
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
1-methyl-3-(1-phenyltetrazol-5-yl)quinolin-4-one
CID 822915
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046800
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
CID 19594090
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline
CID 1210230
2-[5-phenyl-4-(1-phenyltetrazol-5-yl)pyrazol-1-yl]pyridine
CID 134098602
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine
CID 5222986
3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol
CID 135410321

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 135885604) is 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is XVDFUZNYOARVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N6O/c13-12(14,15)9-8(6-16-11(22)17-9)10-18-19-20-21(10)7-4-2-1-3-5-7/h1-6H,(H,16,17,22).
What are the key properties of 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 308.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 135885604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).