6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine

C12H15N3O — CID 143857603

IUPAC6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine
SMILESC=C/C=C(/Cc1ccc(N)nn1)C(=C)OC
InChIInChI=1S/C12H15N3O/c1-4-5-10(9(2)16-3)8-11-6-7-12(13)15-14-11/h4-7H,1-2,8H2,3H3,(H2,13,15)/b10-5-
InChIKeyLIIDOQDEAVRFMQ-YHYXMXQVSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds5

About 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine

6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine (PubChem CID 143857603) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine
PubChem CID143857603
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine
SMILESC=C/C=C(/Cc1ccc(N)nn1)C(=C)OC
InChIInChI=1S/C12H15N3O/c1-4-5-10(9(2)16-3)8-11-6-7-12(13)15-14-11/h4-7H,1-2,8H2,3H3,(H2,13,15)/b10-5-
InChIKeyLIIDOQDEAVRFMQ-YHYXMXQVSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine?
The IUPAC name of 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine (CID 143857603) is 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine?
The canonical SMILES for 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine is C=C/C=C(/Cc1ccc(N)nn1)C(=C)OC.
What is the InChIKey of 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine?
The InChIKey is LIIDOQDEAVRFMQ-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-5-10(9(2)16-3)8-11-6-7-12(13)15-14-11/h4-7H,1-2,8H2,3H3,(H2,13,15)/b10-5-.
What are the key properties of 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine?
6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-(1-methoxyethenyl)penta-2,4-dienyl]pyridazin-3-amine is sourced from PubChem (CID 143857603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).