2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane

C24H28F6N8OSi — CID 161210999

IUPAC2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2ncn(COCC[Si](C)(C)C)n2)cc(C(F)(F)F)n1.Cc1cc(-c2ncn[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4OSi.C9H7F3N4/c1-11-7-12(8-13(20-11)15(16,17)18)14-19-9-22(21-14)10-23-5-6-24(2,3)4;1-5-2-6(8-13-4-14-16-8)3-7(15-5)9(10,11)12/h7-9H,5-6,10H2,1-4H3;2-4H,1H3,(H,13,14,16)
InChIKeyUWFQRVDPSCVZPS-UHFFFAOYSA-N
MW586.62 g/mol
LogP6.17
Rot. Bonds7

About 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane

2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 161210999) has the molecular formula C24H28F6N8OSi and a molecular weight of 586.62 g/mol. Its IUPAC name is 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane
PubChem CID161210999
Molecular FormulaC24H28F6N8OSi
Molecular Weight586.62 g/mol
Exact Mass586.21
IUPAC Name2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2ncn(COCC[Si](C)(C)C)n2)cc(C(F)(F)F)n1.Cc1cc(-c2ncn[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4OSi.C9H7F3N4/c1-11-7-12(8-13(20-11)15(16,17)18)14-19-9-22(21-14)10-23-5-6-24(2,3)4;1-5-2-6(8-13-4-14-16-8)3-7(15-5)9(10,11)12/h7-9H,5-6,10H2,1-4H3;2-4H,1H3,(H,13,14,16)
InChIKeyUWFQRVDPSCVZPS-UHFFFAOYSA-N
XLogP6.17
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.62
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 162351284
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
5-[3-(methoxymethoxy)-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 66996465
6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 155732367
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 70565393
2-[[2-(5-ethylpyrimidin-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162566497
2-[[2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 71240810
5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 174958066
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]anilino]-N-methylpyridazine-3-carboxamide
CID 157270222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 161210999) is 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane is Cc1cc(-c2ncn(COCC[Si](C)(C)C)n2)cc(C(F)(F)F)n1.Cc1cc(-c2ncn[nH]2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The InChIKey is UWFQRVDPSCVZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4OSi.C9H7F3N4/c1-11-7-12(8-13(20-11)15(16,17)18)14-19-9-22(21-14)10-23-5-6-24(2,3)4;1-5-2-6(8-13-4-14-16-8)3-7(15-5)9(10,11)12/h7-9H,5-6,10H2,1-4H3;2-4H,1H3,(H,13,14,16).
What are the key properties of 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 586.62 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 161210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).