1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride

C9H19Cl2N5O — CID 3043965

IUPAC1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride
SMILESCCN(CC(C)O)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C9H17N5O.2ClH/c1-3-14(6-7(2)15)9-5-4-8(11-10)12-13-9;;/h4-5,7,15H,3,6,10H2,1-2H3,(H,11,12);2*1H
InChIKeyOQPVSMXUUBDLSL-UHFFFAOYSA-N
MW284.19 g/mol
LogP0.81
Rot. Bonds5

About 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride

1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride (PubChem CID 3043965) has the molecular formula C9H19Cl2N5O and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride
PubChem CID3043965
Molecular FormulaC9H19Cl2N5O
Molecular Weight284.19 g/mol
Exact Mass283.10
IUPAC Name1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride
SMILESCCN(CC(C)O)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C9H17N5O.2ClH/c1-3-14(6-7(2)15)9-5-4-8(11-10)12-13-9;;/h4-5,7,15H,3,6,10H2,1-2H3,(H,11,12);2*1H
InChIKeyOQPVSMXUUBDLSL-UHFFFAOYSA-N
XLogP0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 50.81
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 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride (CID 3043965) is 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride is CCN(CC(C)O)c1ccc(NN)nn1.Cl.Cl.
What is the InChIKey of 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride?
The InChIKey is OQPVSMXUUBDLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O.2ClH/c1-3-14(6-7(2)15)9-5-4-8(11-10)12-13-9;;/h4-5,7,15H,3,6,10H2,1-2H3,(H,11,12);2*1H.
What are the key properties of 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride?
1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride has a molecular weight of 284.19 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 3043965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).