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

C16H14F3N5 — CID 131946942

IUPAC3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
SMILESFC(F)(F)CCc1nc(Cc2cccnc2)nn1-c1ccncc1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)6-3-15-22-14(10-12-2-1-7-21-11-12)23-24(15)13-4-8-20-9-5-13/h1-2,4-5,7-9,11H,3,6,10H2
InChIKeyZUNWZAHMCUQKGR-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.14
Rot. Bonds5

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

3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 131946942) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID131946942
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
SMILESFC(F)(F)CCc1nc(Cc2cccnc2)nn1-c1ccncc1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)6-3-15-22-14(10-12-2-1-7-21-11-12)23-24(15)13-4-8-20-9-5-13/h1-2,4-5,7-9,11H,3,6,10H2
InChIKeyZUNWZAHMCUQKGR-UHFFFAOYSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine with MolForge

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Related Compounds

2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
CID 50985323
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine
CID 167849564
1-[3-(pyridin-3-ylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131920001
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127
3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine
CID 131927620
3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394428
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 114289848

Frequently Asked Questions

What is the IUPAC name of 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine (CID 131946942) is 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine is FC(F)(F)CCc1nc(Cc2cccnc2)nn1-c1ccncc1.
What is the InChIKey of 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is ZUNWZAHMCUQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c17-16(18,19)6-3-15-22-14(10-12-2-1-7-21-11-12)23-24(15)13-4-8-20-9-5-13/h1-2,4-5,7-9,11H,3,6,10H2.
What are the key properties of 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine?
3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 333.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 131946942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).