2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

C12H18N4O2 — CID 82376829

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESCN1CCN(CC2Nc3cocc3NC2=O)CC1
InChIInChI=1S/C12H18N4O2/c1-15-2-4-16(5-3-15)6-9-12(17)14-11-8-18-7-10(11)13-9/h7-9,13H,2-6H2,1H3,(H,14,17)
InChIKeyJZSPGPJQOSRUAD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.26
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (PubChem CID 82376829) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
PubChem CID82376829
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESCN1CCN(CC2Nc3cocc3NC2=O)CC1
InChIInChI=1S/C12H18N4O2/c1-15-2-4-16(5-3-15)6-9-12(17)14-11-8-18-7-10(11)13-9/h7-9,13H,2-6H2,1H3,(H,14,17)
InChIKeyJZSPGPJQOSRUAD-UHFFFAOYSA-N
XLogP0.26
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

5-Amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
CID 82375669
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
1-(Furan-3-yl)-2-methylpiperazine
CID 70574891
tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
CID 71145360
2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1-(Furan-3-yl)piperazin-2-one
CID 131062759
Ethane;1-(furan-3-yl)piperazine;methoxyethane
CID 142245666
ethane;N-methyl-N-[4-(methylamino)furan-3-yl]prop-2-enamide
CID 144268433
N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779667
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylacetamide
CID 170424174
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylpropanamide
CID 170424175
(9S)-11-propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185595

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (CID 82376829) is 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is CN1CCN(CC2Nc3cocc3NC2=O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The InChIKey is JZSPGPJQOSRUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-2-4-16(5-3-15)6-9-12(17)14-11-8-18-7-10(11)13-9/h7-9,13H,2-6H2,1H3,(H,14,17).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).