6-(2-methylbut-3-en-2-yl)pyridazin-3-amine

C9H13N3 — CID 123145044

IUPAC6-(2-methylbut-3-en-2-yl)pyridazin-3-amine
SMILESC=CC(C)(C)c1ccc(N)nn1
InChIInChI=1S/C9H13N3/c1-4-9(2,3)7-5-6-8(10)12-11-7/h4-6H,1H2,2-3H3,(H2,10,12)
InChIKeyCQHVQWUDPKYLEI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.52
Rot. Bonds2

About 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine

6-(2-methylbut-3-en-2-yl)pyridazin-3-amine (PubChem CID 123145044) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methylbut-3-en-2-yl)pyridazin-3-amine
PubChem CID123145044
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6-(2-methylbut-3-en-2-yl)pyridazin-3-amine
SMILESC=CC(C)(C)c1ccc(N)nn1
InChIInChI=1S/C9H13N3/c1-4-9(2,3)7-5-6-8(10)12-11-7/h4-6H,1H2,2-3H3,(H2,10,12)
InChIKeyCQHVQWUDPKYLEI-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine?
The IUPAC name of 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine (CID 123145044) is 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine is C=CC(C)(C)c1ccc(N)nn1.
What is the InChIKey of 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine?
The InChIKey is CQHVQWUDPKYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-9(2,3)7-5-6-8(10)12-11-7/h4-6H,1H2,2-3H3,(H2,10,12).
What are the key properties of 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine?
6-(2-methylbut-3-en-2-yl)pyridazin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbut-3-en-2-yl)pyridazin-3-amine is sourced from PubChem (CID 123145044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).