6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C18H31FN4OSi — CID 86686991

IUPAC6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCC(C)[Si](OCCN(C)c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C18H31FN4OSi/c1-13(2)25(14(3)4,15(5)6)24-11-10-22(7)18-21-20-17-9-8-16(19)12-23(17)18/h8-9,12-15H,10-11H2,1-7H3
InChIKeyPFQVLVLFGQQMMK-UHFFFAOYSA-N
MW366.56 g/mol
LogP4.50
Rot. Bonds8

About 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 86686991) has the molecular formula C18H31FN4OSi and a molecular weight of 366.56 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID86686991
Molecular FormulaC18H31FN4OSi
Molecular Weight366.56 g/mol
Exact Mass366.23
IUPAC Name6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCC(C)[Si](OCCN(C)c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C18H31FN4OSi/c1-13(2)25(14(3)4,15(5)6)24-11-10-22(7)18-21-20-17-9-8-16(19)12-23(17)18/h8-9,12-15H,10-11H2,1-7H3
InChIKeyPFQVLVLFGQQMMK-UHFFFAOYSA-N
XLogP4.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Related Compounds

1-[Methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol
CID 71976091
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 249771
3-Ethyl[1,2,4]triazolo[4,3-a]pyridine
CID 249772
2-Ethyl(1,2,4)triazolo(1,5-a)pyridine
CID 254583
3-Propyl[1,2,4]triazolo[4,3-a]pyridine
CID 253288
3-Tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 58088278
2-Propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130662
3-Pentyl-[1,2,4]triazolo[4,3-a]pyridine
CID 134840704
3-[2-[(2-Methylpropan-2-yl)oxy]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 53589899
3-[3-(2,2,2-Trifluoroethoxy)propoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 72128297
3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 10877855
6-Fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267245

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 86686991) is 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CC(C)[Si](OCCN(C)c1nnc2ccc(F)cn12)(C(C)C)C(C)C.
What is the InChIKey of 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is PFQVLVLFGQQMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4OSi/c1-13(2)25(14(3)4,15(5)6)24-11-10-22(7)18-21-20-17-9-8-16(19)12-23(17)18/h8-9,12-15H,10-11H2,1-7H3.
What are the key properties of 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 366.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 86686991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).