6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H2F3N5O2 — CID 14270102

IUPAC6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C6H2F3N5O2/c7-6(8,9)4-11-5-10-1-3(14(15)16)2-13(5)12-4/h1-2H
InChIKeyOLNWCAABZSVGLD-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.05
Rot. Bonds1

About 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 14270102) has the molecular formula C6H2F3N5O2 and a molecular weight of 233.11 g/mol. Its IUPAC name is 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID14270102
Molecular FormulaC6H2F3N5O2
Molecular Weight233.11 g/mol
Exact Mass233.02
IUPAC Name6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C6H2F3N5O2/c7-6(8,9)4-11-5-10-1-3(14(15)16)2-13(5)12-4/h1-2H
InChIKeyOLNWCAABZSVGLD-UHFFFAOYSA-N
XLogP1.05
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Nitro-(1,2,4)triazolo(1,5-A)pyrimidin-2-ylamine
CID 601879
6-Bromo-3-nitropyrazolo[1,5-a]pyrimidine
CID 1276705
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
4-Nitro-2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 135016070
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
5-nitro-2-(4-(trifluoromethyl)-1H-pyrazol-1-yl)pyrimidine
CID 68157326
5-(Difluoromethyl)-3-nitropyrazolo[1,5-A]pyrimidine
CID 119056308
5-Chloro-6-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
CID 153525255
5-(3-Fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
CID 154969225
5-Chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
CID 162355394

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 14270102) is 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OLNWCAABZSVGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N5O2/c7-6(8,9)4-11-5-10-1-3(14(15)16)2-13(5)12-4/h1-2H.
What are the key properties of 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 233.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 14270102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).