1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride

C7H11Cl2N7 — CID 3053982

IUPAC1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.NNc1ccc(-n2cc(N)cn2)nn1
InChIInChI=1S/C7H9N7.2ClH/c8-5-3-10-14(4-5)7-2-1-6(11-9)12-13-7;;/h1-4H,8-9H2,(H,11,12);2*1H
InChIKeyVZWKKPCCUHIJBP-UHFFFAOYSA-N
MW264.12 g/mol
LogP0.37
Rot. Bonds2

About 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride

1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride (PubChem CID 3053982) has the molecular formula C7H11Cl2N7 and a molecular weight of 264.12 g/mol. Its IUPAC name is 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride
PubChem CID3053982
Molecular FormulaC7H11Cl2N7
Molecular Weight264.12 g/mol
Exact Mass263.05
IUPAC Name1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.NNc1ccc(-n2cc(N)cn2)nn1
InChIInChI=1S/C7H9N7.2ClH/c8-5-3-10-14(4-5)7-2-1-6(11-9)12-13-7;;/h1-4H,8-9H2,(H,11,12);2*1H
InChIKeyVZWKKPCCUHIJBP-UHFFFAOYSA-N
XLogP0.37
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride (CID 3053982) is 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride is Cl.Cl.NNc1ccc(-n2cc(N)cn2)nn1.
What is the InChIKey of 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride?
The InChIKey is VZWKKPCCUHIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7.2ClH/c8-5-3-10-14(4-5)7-2-1-6(11-9)12-13-7;;/h1-4H,8-9H2,(H,11,12);2*1H.
What are the key properties of 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride?
1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride has a molecular weight of 264.12 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinylpyridazin-3-yl)pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 3053982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).