4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine

C15H17ClN4O2 — CID 90456576

IUPAC4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine
SMILESCOc1ncc(-c2cc(Cl)nnc2C)cc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2/c1-10-12(8-14(16)19-18-10)11-7-13(15(21-2)17-9-11)20-3-5-22-6-4-20/h7-9H,3-6H2,1-2H3
InChIKeyKRVQZWLZTRAYAK-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.35
Rot. Bonds3

About 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine

4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine (PubChem CID 90456576) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine
PubChem CID90456576
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine
SMILESCOc1ncc(-c2cc(Cl)nnc2C)cc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2/c1-10-12(8-14(16)19-18-10)11-7-13(15(21-2)17-9-11)20-3-5-22-6-4-20/h7-9H,3-6H2,1-2H3
InChIKeyKRVQZWLZTRAYAK-UHFFFAOYSA-N
XLogP2.35
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine (CID 90456576) is 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine is COc1ncc(-c2cc(Cl)nnc2C)cc1N1CCOCC1.
What is the InChIKey of 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine?
The InChIKey is KRVQZWLZTRAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-12(8-14(16)19-18-10)11-7-13(15(21-2)17-9-11)20-3-5-22-6-4-20/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine?
4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine has a molecular weight of 320.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-chloro-3-methylpyridazin-4-yl)-2-methoxy-3-pyridinyl]morpholine is sourced from PubChem (CID 90456576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).