6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine

C11H16ClN5 — CID 57225057

IUPAC6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine
SMILESC=C(C)C(C)/N=N/c1nnc(Cl)cc1NCC
InChIInChI=1S/C11H16ClN5/c1-5-13-9-6-10(12)15-17-11(9)16-14-8(4)7(2)3/h6,8H,2,5H2,1,3-4H3,(H,13,15)/b16-14+
InChIKeyAYBZIKURISATQM-JQIJEIRASA-N
MW253.74 g/mol
LogP3.61
Rot. Bonds5

About 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine

6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine (PubChem CID 57225057) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine
PubChem CID57225057
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine
SMILESC=C(C)C(C)/N=N/c1nnc(Cl)cc1NCC
InChIInChI=1S/C11H16ClN5/c1-5-13-9-6-10(12)15-17-11(9)16-14-8(4)7(2)3/h6,8H,2,5H2,1,3-4H3,(H,13,15)/b16-14+
InChIKeyAYBZIKURISATQM-JQIJEIRASA-N
XLogP3.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine (CID 57225057) is 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine is C=C(C)C(C)/N=N/c1nnc(Cl)cc1NCC.
What is the InChIKey of 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine?
The InChIKey is AYBZIKURISATQM-JQIJEIRASA-N. The full InChI is InChI=1S/C11H16ClN5/c1-5-13-9-6-10(12)15-17-11(9)16-14-8(4)7(2)3/h6,8H,2,5H2,1,3-4H3,(H,13,15)/b16-14+.
What are the key properties of 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine?
6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine has a molecular weight of 253.74 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine is sourced from PubChem (CID 57225057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).