6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine

C15H24ClN3O — CID 83028987

IUPAC6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
SMILESCCC1(CC)CC(Nc2nnc(Cl)c(C)c2C)CCO1
InChIInChI=1S/C15H24ClN3O/c1-5-15(6-2)9-12(7-8-20-15)17-14-11(4)10(3)13(16)18-19-14/h12H,5-9H2,1-4H3,(H,17,19)
InChIKeyMYSQXKDULOFBKH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.90
Rot. Bonds4

About 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine (PubChem CID 83028987) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
PubChem CID83028987
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
SMILESCCC1(CC)CC(Nc2nnc(Cl)c(C)c2C)CCO1
InChIInChI=1S/C15H24ClN3O/c1-5-15(6-2)9-12(7-8-20-15)17-14-11(4)10(3)13(16)18-19-14/h12H,5-9H2,1-4H3,(H,17,19)
InChIKeyMYSQXKDULOFBKH-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine (CID 83028987) is 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine is CCC1(CC)CC(Nc2nnc(Cl)c(C)c2C)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is MYSQXKDULOFBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-15(6-2)9-12(7-8-20-15)17-14-11(4)10(3)13(16)18-19-14/h12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 297.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 83028987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).