4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one

C11H13ClN4O2 — CID 10869295

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one
SMILESCONC1=NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C11H13ClN4O2/c1-18-15-10-11(17)16(5-4-13-10)7-8-2-3-9(12)14-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeySLNCTQCXEXOORY-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.63
Rot. Bonds3

About 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one

4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one (PubChem CID 10869295) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one
PubChem CID10869295
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one
SMILESCONC1=NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C11H13ClN4O2/c1-18-15-10-11(17)16(5-4-13-10)7-8-2-3-9(12)14-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeySLNCTQCXEXOORY-UHFFFAOYSA-N
XLogP0.63
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
N'-Carbamoyl-N-((6-chloro-3-pyridinyl)methyl)-N-methylethanimidamide
CID 73325014
3-((6-Chloropyridin-3-yl)methyl)imidazolidine-2,4-dione
CID 20114087
NTN33893-4-keto-urea
CID 122226815
1-{4-[(6-Chloro-3-pyridinyl)methyl]piperazino}-1-ethanone
CID 1473079
Flupyrimin
CID 14127920
[1-[(6-Chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide
CID 10945285
[1-[(6-Chloro-3-pyridinyl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
CID 10967824
N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 10970705
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione
CID 71441372
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-2-cyanoimino-N,N-dimethylacetamide
CID 10912901
[[1-[(6-Chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]amino]thiourea
CID 11130785

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one (CID 10869295) is 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one is CONC1=NCCN(Cc2ccc(Cl)nc2)C1=O.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one?
The InChIKey is SLNCTQCXEXOORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-18-15-10-11(17)16(5-4-13-10)7-8-2-3-9(12)14-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one?
4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one has a molecular weight of 268.70 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-6-(methoxyamino)-2,3-dihydropyrazin-5-one is sourced from PubChem (CID 10869295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).