5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile

C9H10N8 — CID 6410564

IUPAC5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(NN)nn2)c(N)c1C#N
InChIInChI=1S/C9H10N8/c1-5-6(4-10)9(11)17(16-5)8-3-2-7(13-12)14-15-8/h2-3H,11-12H2,1H3,(H,13,14)
InChIKeyMTBITUFRBVIBHL-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.29
Rot. Bonds2

About 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile

5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile (PubChem CID 6410564) has the molecular formula C9H10N8 and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile
PubChem CID6410564
Molecular FormulaC9H10N8
Molecular Weight230.24 g/mol
Exact Mass230.10
IUPAC Name5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(NN)nn2)c(N)c1C#N
InChIInChI=1S/C9H10N8/c1-5-6(4-10)9(11)17(16-5)8-3-2-7(13-12)14-15-8/h2-3H,11-12H2,1H3,(H,13,14)
InChIKeyMTBITUFRBVIBHL-UHFFFAOYSA-N
XLogP-0.29
TPSA131.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile (CID 6410564) is 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile is Cc1nn(-c2ccc(NN)nn2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is MTBITUFRBVIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8/c1-5-6(4-10)9(11)17(16-5)8-3-2-7(13-12)14-15-8/h2-3H,11-12H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile?
5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 230.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-hydrazinylpyridazin-3-yl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 6410564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).