3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol

C20H16FN5O — CID 118034584

IUPAC3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
SMILESNc1ncnn2c(C3CCc4ccccc43)nc(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)17-18-19(22)23-10-24-26(18)20(25-17)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
InChIKeyXHGPGANYYXAHJN-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.30
Rot. Bonds2

About 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol

3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol (PubChem CID 118034584) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
PubChem CID118034584
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
SMILESNc1ncnn2c(C3CCc4ccccc43)nc(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)17-18-19(22)23-10-24-26(18)20(25-17)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
InChIKeyXHGPGANYYXAHJN-UHFFFAOYSA-N
XLogP3.30
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol (CID 118034584) is 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol is Nc1ncnn2c(C3CCc4ccccc43)nc(-c3cc(O)cc(F)c3)c12.
What is the InChIKey of 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The InChIKey is XHGPGANYYXAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)17-18-19(22)23-10-24-26(18)20(25-17)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24).
What are the key properties of 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol has a molecular weight of 361.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(2,3-dihydro-1H-inden-1-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol is sourced from PubChem (CID 118034584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).