2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine

C9H7F3N4 — CID 89472448

IUPAC2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C9H7F3N4/c1-16-7(6-4-2-3-5-13-6)14-8(15-16)9(10,11)12/h2-5H,1H3
InChIKeyRHCAVCWGQLFDRL-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.90
Rot. Bonds1

About 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine

2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 89472448) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID89472448
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C9H7F3N4/c1-16-7(6-4-2-3-5-13-6)14-8(15-16)9(10,11)12/h2-5H,1H3
InChIKeyRHCAVCWGQLFDRL-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine (CID 89472448) is 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine is Cn1nc(C(F)(F)F)nc1-c1ccccn1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is RHCAVCWGQLFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-16-7(6-4-2-3-5-13-6)14-8(15-16)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 228.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 89472448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).