7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine

C5H2F3N5 — CID 12012774

IUPAC7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc2nnnn12
InChIInChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-9-4-10-11-12-13(3)4/h1-2H
InChIKeyZJVAZEMVTUEWNQ-UHFFFAOYSA-N
MW189.10 g/mol
LogP0.54
Rot. Bonds

About 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine

7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine (PubChem CID 12012774) has the molecular formula C5H2F3N5 and a molecular weight of 189.10 g/mol. Its IUPAC name is 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
PubChem CID12012774
Molecular FormulaC5H2F3N5
Molecular Weight189.10 g/mol
Exact Mass189.03
IUPAC Name7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc2nnnn12
InChIInChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-9-4-10-11-12-13(3)4/h1-2H
InChIKeyZJVAZEMVTUEWNQ-UHFFFAOYSA-N
XLogP0.54
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
4-(Trifluoromethyl)pyrimidine
CID 15074799
2-Fluoro-4-(trifluoromethyl)pyrimidine
CID 17804388
5-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 84687193
7-(Trifluoromethyl)imidazo(1,2-a)pyrimidine
CID 11263920
5-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 12012770
5-Trifluoromethylpyrazolo[1,5-a]pyrimidine
CID 67345747
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 69640590
5-Difluoromethylpyrazolo[1,5-a]pyrimidine
CID 168654912
2-Methylpyrazolo[1,5-a]pyrimidine
CID 12773559

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine (CID 12012774) is 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccnc2nnnn12.
What is the InChIKey of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The InChIKey is ZJVAZEMVTUEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-9-4-10-11-12-13(3)4/h1-2H.
What are the key properties of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine has a molecular weight of 189.10 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12012774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).