(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine

C18H25Cl3N6O2 — CID 159709361

IUPAC(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine
SMILESC[C@@H]1CN(c2ccc(Cl)nn2)CCO1.C[C@@H]1CNCCO1.Clc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O.C5H11NO.C4H2Cl2N2/c1-7-6-13(4-5-14-7)9-3-2-8(10)11-12-9;1-5-4-6-2-3-7-5;5-3-1-2-4(6)8-7-3/h2-3,7H,4-6H2,1H3;5-6H,2-4H2,1H3;1-2H/t7-;5-;/m11./s1
InChIKeyMYQAPMFUBVELMD-MNSRQFJYSA-N
MW463.80 g/mol
LogP3.13
Rot. Bonds1

About (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine

(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine (PubChem CID 159709361) has the molecular formula C18H25Cl3N6O2 and a molecular weight of 463.80 g/mol. Its IUPAC name is (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine
PubChem CID159709361
Molecular FormulaC18H25Cl3N6O2
Molecular Weight463.80 g/mol
Exact Mass462.11
IUPAC Name(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine
SMILESC[C@@H]1CN(c2ccc(Cl)nn2)CCO1.C[C@@H]1CNCCO1.Clc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O.C5H11NO.C4H2Cl2N2/c1-7-6-13(4-5-14-7)9-3-2-8(10)11-12-9;1-5-4-6-2-3-7-5;5-3-1-2-4(6)8-7-3/h2-3,7H,4-6H2,1H3;5-6H,2-4H2,1H3;1-2H/t7-;5-;/m11./s1
InChIKeyMYQAPMFUBVELMD-MNSRQFJYSA-N
XLogP3.13
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine?
The IUPAC name of (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine (CID 159709361) is (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine.
What is the SMILES notation for (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine?
The canonical SMILES for (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine is C[C@@H]1CN(c2ccc(Cl)nn2)CCO1.C[C@@H]1CNCCO1.Clc1ccc(Cl)nn1.
What is the InChIKey of (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine?
The InChIKey is MYQAPMFUBVELMD-MNSRQFJYSA-N. The full InChI is InChI=1S/C9H12ClN3O.C5H11NO.C4H2Cl2N2/c1-7-6-13(4-5-14-7)9-3-2-8(10)11-12-9;1-5-4-6-2-3-7-5;5-3-1-2-4(6)8-7-3/h2-3,7H,4-6H2,1H3;5-6H,2-4H2,1H3;1-2H/t7-;5-;/m11./s1.
What are the key properties of (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine?
(2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine has a molecular weight of 463.80 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-chloropyridazin-3-yl)-2-methylmorpholine;3,6-dichloropyridazine;(2R)-2-methylmorpholine is sourced from PubChem (CID 159709361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).