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

C11H18ClN5 — CID 54312437

IUPAC6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine
SMILESCCCC(C)/N=N/c1nnc(Cl)cc1NCC
InChIInChI=1S/C11H18ClN5/c1-4-6-8(3)14-16-11-9(13-5-2)7-10(12)15-17-11/h7-8H,4-6H2,1-3H3,(H,13,15)/b16-14+
InChIKeySLVMLIVXKFTKKL-JQIJEIRASA-N
MW255.75 g/mol
LogP3.83
Rot. Bonds6

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

6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine (PubChem CID 54312437) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine
PubChem CID54312437
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine
SMILESCCCC(C)/N=N/c1nnc(Cl)cc1NCC
InChIInChI=1S/C11H18ClN5/c1-4-6-8(3)14-16-11-9(13-5-2)7-10(12)15-17-11/h7-8H,4-6H2,1-3H3,(H,13,15)/b16-14+
InChIKeySLVMLIVXKFTKKL-JQIJEIRASA-N
XLogP3.83
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.83
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'}

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Related Compounds

3,6-dichloro-N-(2-methylprop-2-en-1-yl)pyridazin-4-amine
CID 21515359
6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine
CID 146553705
6-chloro-3-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazine-3,4-diamine
CID 153382829
4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine
CID 156699264
3,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)pyridazin-4-amine
CID 105938534
3-chloro-6-hydrazinyl-N,N-bis(prop-2-enyl)pyridazin-4-amine
CID 318722
N-butyl-3-chloro-6-hydrazinylpyridazin-4-amine
CID 21515362
6-chloro-3-N-(heptan-4-ylideneamino)-4-N-methylpyridazine-3,4-diamine
CID 21515371
4-Methallylamino-6-chloro-3-hydrazinopyridazine
CID 21515372
4-Isopropylamino-6-chloro-3-hydrazino pyridazine dihydrochloride
CID 21515374
6-Chloro-3-hydrazinyl-N-(propan-2-yl)pyridazin-4-amine
CID 21515375
3-chloro-6-hydrazinyl-N-prop-2-enylpyridazin-4-amine
CID 21515376

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine (CID 54312437) is 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine is CCCC(C)/N=N/c1nnc(Cl)cc1NCC.
What is the InChIKey of 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine?
The InChIKey is SLVMLIVXKFTKKL-JQIJEIRASA-N. The full InChI is InChI=1S/C11H18ClN5/c1-4-6-8(3)14-16-11-9(13-5-2)7-10(12)15-17-11/h7-8H,4-6H2,1-3H3,(H,13,15)/b16-14+.
What are the key properties of 6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine?
6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 3.83, 6 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-(pentan-2-yldiazenyl)pyridazin-4-amine is sourced from PubChem (CID 54312437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).