1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride

C9H15Cl2N7 — CID 3053980

IUPAC1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(-c2ccc(NN)nn2)c(C)c1N.Cl.Cl
InChIInChI=1S/C9H13N7.2ClH/c1-5-9(10)6(2)16(15-5)8-4-3-7(12-11)13-14-8;;/h3-4H,10-11H2,1-2H3,(H,12,13);2*1H
InChIKeyPKXOQRMDRAVGPL-UHFFFAOYSA-N
MW292.17 g/mol
LogP0.99
Rot. Bonds2

About 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride

1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride (PubChem CID 3053980) has the molecular formula C9H15Cl2N7 and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride
PubChem CID3053980
Molecular FormulaC9H15Cl2N7
Molecular Weight292.17 g/mol
Exact Mass291.08
IUPAC Name1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(-c2ccc(NN)nn2)c(C)c1N.Cl.Cl
InChIInChI=1S/C9H13N7.2ClH/c1-5-9(10)6(2)16(15-5)8-4-3-7(12-11)13-14-8;;/h3-4H,10-11H2,1-2H3,(H,12,13);2*1H
InChIKeyPKXOQRMDRAVGPL-UHFFFAOYSA-N
XLogP0.99
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 50.99
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)-3,5-dimethylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride (CID 3053980) is 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride is Cc1nn(-c2ccc(NN)nn2)c(C)c1N.Cl.Cl.
What is the InChIKey of 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride?
The InChIKey is PKXOQRMDRAVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7.2ClH/c1-5-9(10)6(2)16(15-5)8-4-3-7(12-11)13-14-8;;/h3-4H,10-11H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride?
1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine;dihydrochloride has a molecular weight of 292.17 g/mol, XLogP of 0.99, 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)-3,5-dimethylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 3053980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).