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7-(hydroxymethyl)-4-isopropyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one

HCID 58324436
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N1CC(=O)Nc2cc(CO)cnc21
InChIKey
QBUIYDFNOWVGSK-UHFFFAOYSA-N
Molecular formula
C11H15N3O2
Average molar mass
221.26 g/mol

Names & identifiers

Preferred name
7-(hydroxymethyl)-4-isopropyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
IUPAC
7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

Names & synonyms

SCHEMBL716691QBUIYDFNOWVGSK-UHFFFAOYSA-N7-(hydroxymethyl)-4-isopropyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one

Database identifiers

PubChem CID
58324436

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
65.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
270

Related reactions

16 records
New reaction record
HRID 69671 reaction equation
HRID 69671As reactantuspto-grants-2014_09
HRID 69672 reaction equation
HRID 69672As reactantuspto-grants-2014_09
HRID 119750 reaction equation
HRID 119750As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 716299 reaction equation
HRID 716299As productuspto-grants-2015_11
HRID 716300 reaction equation
HRID 716300As reactantuspto-grants-2015_11
HRID 716301 reaction equation
HRID 716301As reactantuspto-grants-2015_11
HRID 716302 reaction equation
HRID 716302As reactantuspto-grants-2015_11
HRID 1644974 reaction equation
HRID 1644974As reactantuspto-grants-2012_02
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Compound notes

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