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

C11H9F3N4 — CID 139879366

IUPAC5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccc(C3CC3)cn2)n[nH]1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)10-16-9(17-18-10)8-4-3-7(5-15-8)6-1-2-6/h3-6H,1-2H2,(H,16,17,18)
InChIKeyIGUYMPAIGAHGEP-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.76
Rot. Bonds2

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

5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 139879366) has the molecular formula C11H9F3N4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID139879366
Molecular FormulaC11H9F3N4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccc(C3CC3)cn2)n[nH]1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)10-16-9(17-18-10)8-4-3-7(5-15-8)6-1-2-6/h3-6H,1-2H2,(H,16,17,18)
InChIKeyIGUYMPAIGAHGEP-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Topiroxostat
CID 5288320
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364
5-(pyridin-2-yl)-4H-1,2,4-triazol-3-amine
CID 12011792

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 139879366) is 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is FC(F)(F)c1nc(-c2ccc(C3CC3)cn2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is IGUYMPAIGAHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)10-16-9(17-18-10)8-4-3-7(5-15-8)6-1-2-6/h3-6H,1-2H2,(H,16,17,18).
What are the key properties of 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 254.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 139879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).