[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane

C12H16F2N4Si — CID 162785925

IUPAC[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cc(-c2ccc(C(F)F)cn2)nn1
InChIInChI=1S/C12H16F2N4Si/c1-19(2,3)8-18-7-11(16-17-18)10-5-4-9(6-15-10)12(13)14/h4-7,12H,8H2,1-3H3
InChIKeyVRUOYRAGNNHVLB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.16
Rot. Bonds4

About [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane

[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane (PubChem CID 162785925) has the molecular formula C12H16F2N4Si and a molecular weight of 282.37 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane
PubChem CID162785925
Molecular FormulaC12H16F2N4Si
Molecular Weight282.37 g/mol
Exact Mass282.11
IUPAC Name[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cc(-c2ccc(C(F)F)cn2)nn1
InChIInChI=1S/C12H16F2N4Si/c1-19(2,3)8-18-7-11(16-17-18)10-5-4-9(6-15-10)12(13)14/h4-7,12H,8H2,1-3H3
InChIKeyVRUOYRAGNNHVLB-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-[5-(diethoxymethyl)-2-pyridinyl]triazol-1-yl]-2,2-dimethylpropanoate
CID 89437341
3-(trifluoromethyl)-4-[1-(trimethylsilylmethyl)triazol-4-yl]aniline
CID 141153049
5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine
CID 166312446
[4-[(1S)-2-[(R)-tert-butylsulfinyl]-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]triazol-1-yl]methyl-trimethylsilane
CID 158031724
[5-(difluoromethyl)-2-pyridinyl]phosphane;ethane
CID 144826758
ethyl (3S)-3-hydroxy-4-[4-(5-methyl-2-pyridinyl)triazol-1-yl]butanoate
CID 166263679
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443333
N-methyl-N-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]ethyl]methanesulfonamide
CID 167971944
2-(difluoromethyl)-5-[5-[(4-phenyltriazol-1-yl)methyl]-2-pyridinyl]-1,3,4-oxadiazole
CID 162767602
[6-(1-methyltriazol-4-yl)-3-pyridinyl]methanol
CID 135309297
tetrakis(3,6-bis[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridazine);tetrakis(copper(1+));dihexafluorophosphate
CID 139253054
5-(difluoromethyl)-N-propylpyridin-2-amine
CID 130559266

Frequently Asked Questions

What is the IUPAC name of [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane?
The IUPAC name of [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane (CID 162785925) is [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane?
The canonical SMILES for [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane is C[Si](C)(C)Cn1cc(-c2ccc(C(F)F)cn2)nn1.
What is the InChIKey of [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane?
The InChIKey is VRUOYRAGNNHVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4Si/c1-19(2,3)8-18-7-11(16-17-18)10-5-4-9(6-15-10)12(13)14/h4-7,12H,8H2,1-3H3.
What are the key properties of [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane?
[4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane has a molecular weight of 282.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-2-pyridinyl]triazol-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 162785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).