N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide

C13H23N5O2 — CID 6410530

IUPACN'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide
SMILESCC(O)CN(C)c1ccc(NNC(=O)C(C)(C)C)nn1
InChIInChI=1S/C13H23N5O2/c1-9(19)8-18(5)11-7-6-10(14-16-11)15-17-12(20)13(2,3)4/h6-7,9,19H,8H2,1-5H3,(H,14,15)(H,17,20)
InChIKeyFLKMQWJTYVQMJS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.78
Rot. Bonds5

About N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide

N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide (PubChem CID 6410530) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide
PubChem CID6410530
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide
SMILESCC(O)CN(C)c1ccc(NNC(=O)C(C)(C)C)nn1
InChIInChI=1S/C13H23N5O2/c1-9(19)8-18(5)11-7-6-10(14-16-11)15-17-12(20)13(2,3)4/h6-7,9,19H,8H2,1-5H3,(H,14,15)(H,17,20)
InChIKeyFLKMQWJTYVQMJS-UHFFFAOYSA-N
XLogP0.78
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide (CID 6410530) is N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide is CC(O)CN(C)c1ccc(NNC(=O)C(C)(C)C)nn1.
What is the InChIKey of N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide?
The InChIKey is FLKMQWJTYVQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(19)8-18(5)11-7-6-10(14-16-11)15-17-12(20)13(2,3)4/h6-7,9,19H,8H2,1-5H3,(H,14,15)(H,17,20).
What are the key properties of N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide?
N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide has a molecular weight of 281.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 6410530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).