N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride

C12H17Cl2N5 — CID 3043958

IUPACN-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride
SMILESCCN(c1ccccc1)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C12H15N5.2ClH/c1-2-17(10-6-4-3-5-7-10)12-9-8-11(14-13)15-16-12;;/h3-9H,2,13H2,1H3,(H,14,15);2*1H
InChIKeyOEFSZWXWVIRXBX-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride

N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride (PubChem CID 3043958) has the molecular formula C12H17Cl2N5 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride
PubChem CID3043958
Molecular FormulaC12H17Cl2N5
Molecular Weight302.21 g/mol
Exact Mass301.09
IUPAC NameN-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride
SMILESCCN(c1ccccc1)c1ccc(NN)nn1.Cl.Cl
InChIInChI=1S/C12H15N5.2ClH/c1-2-17(10-6-4-3-5-7-10)12-9-8-11(14-13)15-16-12;;/h3-9H,2,13H2,1H3,(H,14,15);2*1H
InChIKeyOEFSZWXWVIRXBX-UHFFFAOYSA-N
XLogP2.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride?
The IUPAC name of N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride (CID 3043958) is N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride.
What is the SMILES notation for N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride?
The canonical SMILES for N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride is CCN(c1ccccc1)c1ccc(NN)nn1.Cl.Cl.
What is the InChIKey of N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride?
The InChIKey is OEFSZWXWVIRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5.2ClH/c1-2-17(10-6-4-3-5-7-10)12-9-8-11(14-13)15-16-12;;/h3-9H,2,13H2,1H3,(H,14,15);2*1H.
What are the key properties of N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride?
N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride has a molecular weight of 302.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-N-phenylpyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 3043958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).