2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C19H20FN7O3 — CID 155883543

IUPAC2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ncn2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(F)cc4)C3)no1)C(N)N2
InChIInChI=1S/C19H20FN7O3/c1-10-16-18(28)26(19(21)24-27(16)9-22-10)7-15-23-17(25-30-15)12-6-14(29-8-12)11-2-4-13(20)5-3-11/h2-5,9,12,14,19,24H,6-8,21H2,1H3/t12-,14+,19?/m0/s1
InChIKeyIJJNIWFDMOAIIP-OSHZWXCDSA-N
MW413.41 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 155883543) has the molecular formula C19H20FN7O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID155883543
Molecular FormulaC19H20FN7O3
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ncn2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(F)cc4)C3)no1)C(N)N2
InChIInChI=1S/C19H20FN7O3/c1-10-16-18(28)26(19(21)24-27(16)9-22-10)7-15-23-17(25-30-15)12-6-14(29-8-12)11-2-4-13(20)5-3-11/h2-5,9,12,14,19,24H,6-8,21H2,1H3/t12-,14+,19?/m0/s1
InChIKeyIJJNIWFDMOAIIP-OSHZWXCDSA-N
XLogP1.40
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 155883543) is 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is Cc1ncn2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(F)cc4)C3)no1)C(N)N2.
What is the InChIKey of 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is IJJNIWFDMOAIIP-OSHZWXCDSA-N. The full InChI is InChI=1S/C19H20FN7O3/c1-10-16-18(28)26(19(21)24-27(16)9-22-10)7-15-23-17(25-30-15)12-6-14(29-8-12)11-2-4-13(20)5-3-11/h2-5,9,12,14,19,24H,6-8,21H2,1H3/t12-,14+,19?/m0/s1.
What are the key properties of 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 413.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155883543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).