3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one

C17H17FN4O2 — CID 122637788

IUPAC3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cnc(C3CCOCC3)n2ncn1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN4O2/c18-14-3-1-2-12(8-14)10-21-11-20-22-15(17(21)23)9-19-16(22)13-4-6-24-7-5-13/h1-3,8-9,11,13H,4-7,10H2
InChIKeyNPANLBDWGMYIAB-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.97
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one

3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 122637788) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID122637788
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cnc(C3CCOCC3)n2ncn1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN4O2/c18-14-3-1-2-12(8-14)10-21-11-20-22-15(17(21)23)9-19-16(22)13-4-6-24-7-5-13/h1-3,8-9,11,13H,4-7,10H2
InChIKeyNPANLBDWGMYIAB-UHFFFAOYSA-N
XLogP1.97
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652326
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888514
N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
CID 40908753
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652241
5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 21089595
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 95920527
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone;1-[(3-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole;oxane-4-carbonyl chloride
CID 161249495

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one (CID 122637788) is 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one is O=c1c2cnc(C3CCOCC3)n2ncn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is NPANLBDWGMYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-14-3-1-2-12(8-14)10-21-11-20-22-15(17(21)23)9-19-16(22)13-4-6-24-7-5-13/h1-3,8-9,11,13H,4-7,10H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 328.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 122637788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).