1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one

C15H15N5O — CID 62374868

IUPAC1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C15H15N5O/c1-10-15(21)20(13-5-3-2-4-12(13)18-10)9-11-6-7-14(19-16)17-8-11/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyNXTFWGAJCWMIIK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.43
Rot. Bonds3

About 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one

1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one (PubChem CID 62374868) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
PubChem CID62374868
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C15H15N5O/c1-10-15(21)20(13-5-3-2-4-12(13)18-10)9-11-6-7-14(19-16)17-8-11/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyNXTFWGAJCWMIIK-UHFFFAOYSA-N
XLogP1.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-[(4-hydrazinyl-2-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 79262169
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640165
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one
CID 62246352
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one (CID 62374868) is 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(Cc2ccc(NN)nc2)c1=O.
What is the InChIKey of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one?
The InChIKey is NXTFWGAJCWMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-15(21)20(13-5-3-2-4-12(13)18-10)9-11-6-7-14(19-16)17-8-11/h2-8H,9,16H2,1H3,(H,17,19).
What are the key properties of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one?
1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 62374868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).