5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine

C16H21N5O2 — CID 90456778

IUPAC5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-3-23-16-15(21-4-6-22-7-5-21)9-14(19-20-16)13-8-12(17)10-18-11(13)2/h8-10H,3-7,17H2,1-2H3
InChIKeyZABLLLKIGZUEDN-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.66
Rot. Bonds4

About 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine

5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine (PubChem CID 90456778) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine
PubChem CID90456778
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-3-23-16-15(21-4-6-22-7-5-21)9-14(19-20-16)13-8-12(17)10-18-11(13)2/h8-10H,3-7,17H2,1-2H3
InChIKeyZABLLLKIGZUEDN-UHFFFAOYSA-N
XLogP1.66
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The IUPAC name of 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine (CID 90456778) is 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine.
What is the SMILES notation for 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The canonical SMILES for 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine is CCOc1nnc(-c2cc(N)cnc2C)cc1N1CCOCC1.
What is the InChIKey of 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
The InChIKey is ZABLLLKIGZUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-23-16-15(21-4-6-22-7-5-21)9-14(19-20-16)13-8-12(17)10-18-11(13)2/h8-10H,3-7,17H2,1-2H3.
What are the key properties of 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine?
5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine has a molecular weight of 315.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-amine is sourced from PubChem (CID 90456778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).