2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C12H15N5O2 — CID 63271650

IUPAC2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2ccnc(NN)c2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-7-8(2)12(19)17(16-11(7)18)6-9-3-4-14-10(5-9)15-13/h3-5H,6,13H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyCWHXOBZXZYLTTI-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.12
Rot. Bonds3

About 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271650) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271650
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2ccnc(NN)c2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-7-8(2)12(19)17(16-11(7)18)6-9-3-4-14-10(5-9)15-13/h3-5H,6,13H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyCWHXOBZXZYLTTI-UHFFFAOYSA-N
XLogP-0.12
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271650) is 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(Cc2ccnc(NN)c2)[nH]c1=O.
What is the InChIKey of 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is CWHXOBZXZYLTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-8(2)12(19)17(16-11(7)18)6-9-3-4-14-10(5-9)15-13/h3-5H,6,13H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 261.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).