6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine

C9H13N3 — CID 126688042

IUPAC6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine
SMILESC=C/C=C\C1=C(N)C=CN(C)N1
InChIInChI=1S/C9H13N3/c1-3-4-5-9-8(10)6-7-12(2)11-9/h3-7,11H,1,10H2,2H3/b5-4-
InChIKeyXQIUDNAIUNPYHZ-PLNGDYQASA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds2

About 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine

6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine (PubChem CID 126688042) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine
PubChem CID126688042
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine
SMILESC=C/C=C\C1=C(N)C=CN(C)N1
InChIInChI=1S/C9H13N3/c1-3-4-5-9-8(10)6-7-12(2)11-9/h3-7,11H,1,10H2,2H3/b5-4-
InChIKeyXQIUDNAIUNPYHZ-PLNGDYQASA-N
XLogP0.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine (CID 126688042) is 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine is C=C/C=C\C1=C(N)C=CN(C)N1.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine?
The InChIKey is XQIUDNAIUNPYHZ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13N3/c1-3-4-5-9-8(10)6-7-12(2)11-9/h3-7,11H,1,10H2,2H3/b5-4-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine?
6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine has a molecular weight of 163.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-2-methyl-1H-pyridazin-5-amine is sourced from PubChem (CID 126688042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).