8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C24H35N3O4Si — CID 70369375

IUPAC8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CNn2c(CO[Si](C)(C)C(C)(C)C)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C24H35N3O4Si/c1-17(2)26-16-25-27-19(15-31-32(6,7)24(3,4)5)13-20(28)22(21(27)23(26)29)30-14-18-11-9-8-10-12-18/h8-13,17,25H,14-16H2,1-7H3
InChIKeyKBGHTKDOSYMPFK-UHFFFAOYSA-N
MW457.65 g/mol
LogP4.31
Rot. Bonds7

About 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 70369375) has the molecular formula C24H35N3O4Si and a molecular weight of 457.65 g/mol. Its IUPAC name is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID70369375
Molecular FormulaC24H35N3O4Si
Molecular Weight457.65 g/mol
Exact Mass457.24
IUPAC Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CNn2c(CO[Si](C)(C)C(C)(C)C)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C24H35N3O4Si/c1-17(2)26-16-25-27-19(15-31-32(6,7)24(3,4)5)13-20(28)22(21(27)23(26)29)30-14-18-11-9-8-10-12-18/h8-13,17,25H,14-16H2,1-7H3
InChIKeyKBGHTKDOSYMPFK-UHFFFAOYSA-N
XLogP4.31
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.65
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 70369375) is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(C)N1CNn2c(CO[Si](C)(C)C(C)(C)C)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is KBGHTKDOSYMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4Si/c1-17(2)26-16-25-27-19(15-31-32(6,7)24(3,4)5)13-20(28)22(21(27)23(26)29)30-14-18-11-9-8-10-12-18/h8-13,17,25H,14-16H2,1-7H3.
What are the key properties of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 457.65 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 70369375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).