1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione

C11H12ClN5O2 — CID 62928048

IUPAC1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2nc(NN)ccc2Cl)c(=O)c1=O
InChIInChI=1S/C11H12ClN5O2/c1-16-4-5-17(11(19)10(16)18)6-8-7(12)2-3-9(14-8)15-13/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyKBGNUEJSZWBGTO-UHFFFAOYSA-N
MW281.70 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione (PubChem CID 62928048) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione
PubChem CID62928048
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2nc(NN)ccc2Cl)c(=O)c1=O
InChIInChI=1S/C11H12ClN5O2/c1-16-4-5-17(11(19)10(16)18)6-8-7(12)2-3-9(14-8)15-13/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyKBGNUEJSZWBGTO-UHFFFAOYSA-N
XLogP-0.07
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione (CID 62928048) is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione is Cn1ccn(Cc2nc(NN)ccc2Cl)c(=O)c1=O.
What is the InChIKey of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione?
The InChIKey is KBGNUEJSZWBGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-16-4-5-17(11(19)10(16)18)6-8-7(12)2-3-9(14-8)15-13/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione?
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione has a molecular weight of 281.70 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62928048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).