3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine

C11H13FN4 — CID 104786808

IUPAC3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine
SMILESCC(C)(C)n1cnnc1-c1cncc(F)c1
InChIInChI=1S/C11H13FN4/c1-11(2,3)16-7-14-15-10(16)8-4-9(12)6-13-5-8/h4-7H,1-3H3
InChIKeyAVCJLWHSVXFSLI-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine

3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine (PubChem CID 104786808) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine
PubChem CID104786808
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine
SMILESCC(C)(C)n1cnnc1-c1cncc(F)c1
InChIInChI=1S/C11H13FN4/c1-11(2,3)16-7-14-15-10(16)8-4-9(12)6-13-5-8/h4-7H,1-3H3
InChIKeyAVCJLWHSVXFSLI-UHFFFAOYSA-N
XLogP2.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
(E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
CID 6858569
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 741385
1H-1,2,4-Triazole, 5-(3-pyridyl)-
CID 211469
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-(3-pyridinylmethylene)amine
CID 6887464
[(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 3142760
3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 13926283
4-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine
CID 21853004
3,5-dimethyl-N-(2-pyridinylmethylene)-4H-1,2,4-triazol-4-amine
CID 6861734
2-(1,2,4-Triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 2744601
3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]pyridin-2-amine
CID 156019840

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine?
The IUPAC name of 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine (CID 104786808) is 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine.
What is the SMILES notation for 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine?
The canonical SMILES for 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine is CC(C)(C)n1cnnc1-c1cncc(F)c1.
What is the InChIKey of 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine?
The InChIKey is AVCJLWHSVXFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-11(2,3)16-7-14-15-10(16)8-4-9(12)6-13-5-8/h4-7H,1-3H3.
What are the key properties of 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine?
3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine has a molecular weight of 220.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine is sourced from PubChem (CID 104786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).