6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine

C12H20ClN3 — CID 63271524

IUPAC6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
SMILESCCCCC(C)Nc1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H20ClN3/c1-5-6-7-8(2)14-12-10(4)9(3)11(13)15-16-12/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyGCCRBOVUKOGAJU-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.74
Rot. Bonds5

About 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine

6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine (PubChem CID 63271524) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
PubChem CID63271524
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
SMILESCCCCC(C)Nc1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H20ClN3/c1-5-6-7-8(2)14-12-10(4)9(3)11(13)15-16-12/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyGCCRBOVUKOGAJU-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine (CID 63271524) is 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine is CCCCC(C)Nc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine?
The InChIKey is GCCRBOVUKOGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-5-6-7-8(2)14-12-10(4)9(3)11(13)15-16-12/h8H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine?
6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine has a molecular weight of 241.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).