(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine

C12H18ClN3O — CID 104959765

IUPAC(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine
SMILESCc1c(Cl)nnc(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-5-16(6-8(2)17-7)12-10(4)9(3)11(13)14-15-12/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyLOWNHLOHSDTWPD-OCAPTIKFSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds1

About (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine

(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine (PubChem CID 104959765) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine
PubChem CID104959765
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine
SMILESCc1c(Cl)nnc(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-5-16(6-8(2)17-7)12-10(4)9(3)11(13)14-15-12/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyLOWNHLOHSDTWPD-OCAPTIKFSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine (CID 104959765) is (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine is Cc1c(Cl)nnc(N2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine?
The InChIKey is LOWNHLOHSDTWPD-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7-5-16(6-8(2)17-7)12-10(4)9(3)11(13)14-15-12/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104959765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).