N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

C17H18FN5O2 — CID 20885686

IUPACN-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2nccn12
InChIInChI=1S/C17H18FN5O2/c1-12-21-23(17(25)16-19-8-10-22(12)16)9-2-3-15(24)20-11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11H2,1H3,(H,20,24)
InChIKeyLJSWMHLXTPLGRP-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.44
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (PubChem CID 20885686) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
PubChem CID20885686
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2nccn12
InChIInChI=1S/C17H18FN5O2/c1-12-21-23(17(25)16-19-8-10-22(12)16)9-2-3-15(24)20-11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11H2,1H3,(H,20,24)
InChIKeyLJSWMHLXTPLGRP-UHFFFAOYSA-N
XLogP1.44
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (CID 20885686) is N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is Cc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2nccn12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The InChIKey is LJSWMHLXTPLGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-12-21-23(17(25)16-19-8-10-22(12)16)9-2-3-15(24)20-11-13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11H2,1H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide has a molecular weight of 343.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is sourced from PubChem (CID 20885686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).