2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol

C13H22ClN3O — CID 63271902

IUPAC2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H22ClN3O/c1-5-11(6-2)17(7-8-18)13-10(4)9(3)12(14)15-16-13/h11,18H,5-8H2,1-4H3
InChIKeyPUYMESDIIZUXDV-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.73
Rot. Bonds6

About 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol (PubChem CID 63271902) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
PubChem CID63271902
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H22ClN3O/c1-5-11(6-2)17(7-8-18)13-10(4)9(3)12(14)15-16-13/h11,18H,5-8H2,1-4H3
InChIKeyPUYMESDIIZUXDV-UHFFFAOYSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol (CID 63271902) is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nnc(Cl)c(C)c1C.
What is the InChIKey of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The InChIKey is PUYMESDIIZUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-11(6-2)17(7-8-18)13-10(4)9(3)12(14)15-16-13/h11,18H,5-8H2,1-4H3.
What are the key properties of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 63271902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).