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

C5H2F3N5 — CID 12012773

IUPAC5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2nnnc2n1
InChIInChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-13-4(9-3)10-11-12-13/h1-2H
InChIKeyILZHPKPDRUKYBH-UHFFFAOYSA-N
MW189.10 g/mol
LogP0.54
Rot. Bonds

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

5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine (PubChem CID 12012773) has the molecular formula C5H2F3N5 and a molecular weight of 189.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
PubChem CID12012773
Molecular FormulaC5H2F3N5
Molecular Weight189.10 g/mol
Exact Mass189.03
IUPAC Name5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2nnnc2n1
InChIInChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-13-4(9-3)10-11-12-13/h1-2H
InChIKeyILZHPKPDRUKYBH-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

Analyze 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
4-(Trifluoromethyl)pyrimidine
CID 15074799
7-Chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768300
Pyrazolo(1,5-a)pyrimidine-5-carbonitrile
CID 23156341
5-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 84687193
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

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine (CID 12012773) is 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccn2nnnc2n1.
What is the InChIKey of 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
The InChIKey is ILZHPKPDRUKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N5/c6-5(7,8)3-1-2-13-4(9-3)10-11-12-13/h1-2H.
What are the key properties of 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine?
5-(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 5-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12012773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).