2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C19H17ClF3N7O3 — CID 155883562

IUPAC2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESNC1Nn2c(cnc2C(F)(F)F)C(=O)N1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H17ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13,18,27H,5,7-8,24H2/t10-,13+,18?/m0/s1
InChIKeyUCVHIJWBAGSBSX-WCGGOGPHSA-N
MW483.84 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 155883562) has the molecular formula C19H17ClF3N7O3 and a molecular weight of 483.84 g/mol. Its IUPAC name is 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID155883562
Molecular FormulaC19H17ClF3N7O3
Molecular Weight483.84 g/mol
Exact Mass483.10
IUPAC Name2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESNC1Nn2c(cnc2C(F)(F)F)C(=O)N1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H17ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13,18,27H,5,7-8,24H2/t10-,13+,18?/m0/s1
InChIKeyUCVHIJWBAGSBSX-WCGGOGPHSA-N
XLogP2.63
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 155883562) is 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is NC1Nn2c(cnc2C(F)(F)F)C(=O)N1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is UCVHIJWBAGSBSX-WCGGOGPHSA-N. The full InChI is InChI=1S/C19H17ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13,18,27H,5,7-8,24H2/t10-,13+,18?/m0/s1.
What are the key properties of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 483.84 g/mol, XLogP of 2.63, 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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155883562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).