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

C6H2F3N5O2 — CID 105492111

IUPAC7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)n2nnnc2n1
InChIInChI=1S/C6H2F3N5O2/c7-6(8,9)3-1-2(4(15)16)10-5-11-12-13-14(3)5/h1H,(H,15,16)
InChIKeyBLYFRYUYPPTJLK-UHFFFAOYSA-N
MW233.11 g/mol
LogP0.24
Rot. Bonds1

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

7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 105492111) has the molecular formula C6H2F3N5O2 and a molecular weight of 233.11 g/mol. Its IUPAC name is 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID105492111
Molecular FormulaC6H2F3N5O2
Molecular Weight233.11 g/mol
Exact Mass233.02
IUPAC Name7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)n2nnnc2n1
InChIInChI=1S/C6H2F3N5O2/c7-6(8,9)3-1-2(4(15)16)10-5-11-12-13-14(3)5/h1H,(H,15,16)
InChIKeyBLYFRYUYPPTJLK-UHFFFAOYSA-N
XLogP0.24
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105456993
5-O-tert-butyl 7-O-ethyl tetrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;7-ethoxycarbonyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid;5-[(2-methylpropan-2-yl)oxycarbonyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 161075513
6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 102113105
5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 67112128
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
CID 130114973
7-piperidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055049
5-methoxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 67112344
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362108
6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 56956170
1-(2-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362107

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 105492111) is 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C(F)(F)F)n2nnnc2n1.
What is the InChIKey of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is BLYFRYUYPPTJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N5O2/c7-6(8,9)3-1-2(4(15)16)10-5-11-12-13-14(3)5/h1H,(H,15,16).
What are the key properties of 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 233.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 105492111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).