6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine

C11H14N6 — CID 3058915

IUPAC6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(-n2ccnc2C)nn1
InChIInChI=1S/C11H14N6/c1-8(2)13-14-10-4-5-11(16-15-10)17-7-6-12-9(17)3/h4-7H,1-3H3,(H,14,15)
InChIKeyZQGUGIMZPXNNDV-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.78
Rot. Bonds3

About 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine

6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine (PubChem CID 3058915) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine
PubChem CID3058915
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(-n2ccnc2C)nn1
InChIInChI=1S/C11H14N6/c1-8(2)13-14-10-4-5-11(16-15-10)17-7-6-12-9(17)3/h4-7H,1-3H3,(H,14,15)
InChIKeyZQGUGIMZPXNNDV-UHFFFAOYSA-N
XLogP1.78
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine (CID 3058915) is 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine is CC(C)=NNc1ccc(-n2ccnc2C)nn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine?
The InChIKey is ZQGUGIMZPXNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8(2)13-14-10-4-5-11(16-15-10)17-7-6-12-9(17)3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine?
6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine has a molecular weight of 230.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine is sourced from PubChem (CID 3058915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).