7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine

C7H4F4N4O — CID 168796201

IUPAC7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine
SMILESCOc1nc2cnnn2c(F)c1C(F)(F)F
InChIInChI=1S/C7H4F4N4O/c1-16-6-4(7(9,10)11)5(8)15-3(13-6)2-12-14-15/h2H,1H3
InChIKeySFKKCYDOBDMOMC-UHFFFAOYSA-N
MW236.13 g/mol
LogP1.29
Rot. Bonds1

About 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine

7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine (PubChem CID 168796201) has the molecular formula C7H4F4N4O and a molecular weight of 236.13 g/mol. Its IUPAC name is 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine
PubChem CID168796201
Molecular FormulaC7H4F4N4O
Molecular Weight236.13 g/mol
Exact Mass236.03
IUPAC Name7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine
SMILESCOc1nc2cnnn2c(F)c1C(F)(F)F
InChIInChI=1S/C7H4F4N4O/c1-16-6-4(7(9,10)11)5(8)15-3(13-6)2-12-14-15/h2H,1H3
InChIKeySFKKCYDOBDMOMC-UHFFFAOYSA-N
XLogP1.29
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine (CID 168796201) is 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine is COc1nc2cnnn2c(F)c1C(F)(F)F.
What is the InChIKey of 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine?
The InChIKey is SFKKCYDOBDMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N4O/c1-16-6-4(7(9,10)11)5(8)15-3(13-6)2-12-14-15/h2H,1H3.
What are the key properties of 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine?
7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine has a molecular weight of 236.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 168796201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).