N-(2-butoxyethyl)-6-chloropyridazin-4-amine

C10H16ClN3O — CID 114478451

IUPACN-(2-butoxyethyl)-6-chloropyridazin-4-amine
SMILESCCCCOCCNc1cnnc(Cl)c1
InChIInChI=1S/C10H16ClN3O/c1-2-3-5-15-6-4-12-9-7-10(11)14-13-8-9/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyOXVPQOCHTIKSFB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.36
Rot. Bonds7

About N-(2-butoxyethyl)-6-chloropyridazin-4-amine

N-(2-butoxyethyl)-6-chloropyridazin-4-amine (PubChem CID 114478451) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-chloropyridazin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-chloropyridazin-4-amine
PubChem CID114478451
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(2-butoxyethyl)-6-chloropyridazin-4-amine
SMILESCCCCOCCNc1cnnc(Cl)c1
InChIInChI=1S/C10H16ClN3O/c1-2-3-5-15-6-4-12-9-7-10(11)14-13-8-9/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyOXVPQOCHTIKSFB-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethylpyridazin-4-amine
CID 88853962
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline
CID 107644359
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
N-(2-butoxyethyl)-3-ethylaniline
CID 61483073

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-chloropyridazin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6-chloropyridazin-4-amine (CID 114478451) is N-(2-butoxyethyl)-6-chloropyridazin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-chloropyridazin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-chloropyridazin-4-amine is CCCCOCCNc1cnnc(Cl)c1.
What is the InChIKey of N-(2-butoxyethyl)-6-chloropyridazin-4-amine?
The InChIKey is OXVPQOCHTIKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-3-5-15-6-4-12-9-7-10(11)14-13-8-9/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2-butoxyethyl)-6-chloropyridazin-4-amine?
N-(2-butoxyethyl)-6-chloropyridazin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-chloropyridazin-4-amine is sourced from PubChem (CID 114478451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).