2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine

C8H6F3N5 — CID 175859130

IUPAC2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCn1cc(-c2ncc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C8H6F3N5/c1-16-4-6(14-15-16)7-12-2-5(3-13-7)8(9,10)11/h2-4H,1H3
InChIKeyOTVZMPMEMZLJNG-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.29
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine

2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 175859130) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID175859130
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCn1cc(-c2ncc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C8H6F3N5/c1-16-4-6(14-15-16)7-12-2-5(3-13-7)8(9,10)11/h2-4H,1H3
InChIKeyOTVZMPMEMZLJNG-UHFFFAOYSA-N
XLogP1.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine (CID 175859130) is 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine is Cn1cc(-c2ncc(C(F)(F)F)cn2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is OTVZMPMEMZLJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c1-16-4-6(14-15-16)7-12-2-5(3-13-7)8(9,10)11/h2-4H,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 229.17 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 2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 175859130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).