2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride

C7H15Cl2N5O — CID 3043950

IUPAC2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride
SMILESCN(CCO)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C7H13N5O.2ClH/c1-12(4-5-13)7-3-2-6(9-8)10-11-7;;/h2-3,13H,4-5,8H2,1H3,(H,9,10);2*1H
InChIKeyKMDIFBZJQLELAP-UHFFFAOYSA-N
MW256.14 g/mol
LogP0.03
Rot. Bonds4

About 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride

2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride (PubChem CID 3043950) has the molecular formula C7H15Cl2N5O and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride
PubChem CID3043950
Molecular FormulaC7H15Cl2N5O
Molecular Weight256.14 g/mol
Exact Mass255.07
IUPAC Name2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride
SMILESCN(CCO)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C7H13N5O.2ClH/c1-12(4-5-13)7-3-2-6(9-8)10-11-7;;/h2-3,13H,4-5,8H2,1H3,(H,9,10);2*1H
InChIKeyKMDIFBZJQLELAP-UHFFFAOYSA-N
XLogP0.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 50.03
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-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride (CID 3043950) is 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride is CN(CCO)c1ccc(NN)nn1.Cl.Cl.
What is the InChIKey of 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride?
The InChIKey is KMDIFBZJQLELAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O.2ClH/c1-12(4-5-13)7-3-2-6(9-8)10-11-7;;/h2-3,13H,4-5,8H2,1H3,(H,9,10);2*1H.
What are the key properties of 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride?
2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride has a molecular weight of 256.14 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinylpyridazin-3-yl)-methylamino]ethanol;dihydrochloride is sourced from PubChem (CID 3043950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).