6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine

C11H18ClN3O — CID 63271672

IUPAC6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine
SMILESCCOCCCNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-16-7-5-6-13-11-9(3)8(2)10(12)14-15-11/h4-7H2,1-3H3,(H,13,15)
InChIKeySSBZYQBCAMULOP-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.59
Rot. Bonds6

About 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 63271672) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine
PubChem CID63271672
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine
SMILESCCOCCCNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-16-7-5-6-13-11-9(3)8(2)10(12)14-15-11/h4-7H2,1-3H3,(H,13,15)
InChIKeySSBZYQBCAMULOP-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine (CID 63271672) is 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine is CCOCCCNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is SSBZYQBCAMULOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-16-7-5-6-13-11-9(3)8(2)10(12)14-15-11/h4-7H2,1-3H3,(H,13,15).
What are the key properties of 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 243.74 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxypropyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).