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

C9H7F3N4 — CID 121499050

IUPAC2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(-c2n[nH]c(C(F)(F)F)n2)ccn1
InChIInChI=1S/C9H7F3N4/c1-5-4-6(2-3-13-5)7-14-8(16-15-7)9(10,11)12/h2-4H,1H3,(H,14,15,16)
InChIKeyNVQNSVAAMDWISO-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.19
Rot. Bonds1

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

2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 121499050) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID121499050
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(-c2n[nH]c(C(F)(F)F)n2)ccn1
InChIInChI=1S/C9H7F3N4/c1-5-4-6(2-3-13-5)7-14-8(16-15-7)9(10,11)12/h2-4H,1H3,(H,14,15,16)
InChIKeyNVQNSVAAMDWISO-UHFFFAOYSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 121499050) is 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is Cc1cc(-c2n[nH]c(C(F)(F)F)n2)ccn1.
What is the InChIKey of 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is NVQNSVAAMDWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-5-4-6(2-3-13-5)7-14-8(16-15-7)9(10,11)12/h2-4H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 228.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 121499050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).