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

C19H19FN6O3 — CID 155883537

IUPAC3-[[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)CN2
InChIInChI=1S/C19H19FN6O3/c1-11-17-19(27)25(10-22-26(17)9-21-11)7-16-23-18(24-29-16)13-6-15(28-8-13)12-2-4-14(20)5-3-12/h2-5,9,13,15,22H,6-8,10H2,1H3/t13-,15+/m0/s1
InChIKeySAZDSJRADPJVRZ-DZGCQCFKSA-N
MW398.40 g/mol
LogP2.12
Rot. Bonds4

About 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

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 155883537) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is 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 Name3-[[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 CID155883537
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name3-[[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)CN2
InChIInChI=1S/C19H19FN6O3/c1-11-17-19(27)25(10-22-26(17)9-21-11)7-16-23-18(24-29-16)13-6-15(28-8-13)12-2-4-14(20)5-3-12/h2-5,9,13,15,22H,6-8,10H2,1H3/t13-,15+/m0/s1
InChIKeySAZDSJRADPJVRZ-DZGCQCFKSA-N
XLogP2.12
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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 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 155883537) is 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 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 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)CN2.
What is the InChIKey of 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 SAZDSJRADPJVRZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-11-17-19(27)25(10-22-26(17)9-21-11)7-16-23-18(24-29-16)13-6-15(28-8-13)12-2-4-14(20)5-3-12/h2-5,9,13,15,22H,6-8,10H2,1H3/t13-,15+/m0/s1.
What are the key properties of 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?
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 398.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 155883537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).