4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine

C18H21N9O2 — CID 58507843

IUPAC4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cnn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)c1
InChIInChI=1S/C18H21N9O2/c1-4-19-27(5-1)15-3-2-14(23-24-15)16-20-17(25-6-10-28-11-7-25)22-18(21-16)26-8-12-29-13-9-26/h1-5H,6-13H2
InChIKeyXDMIMKBNEUMJFE-UHFFFAOYSA-N
MW395.43 g/mol
LogP0.19
Rot. Bonds4

About 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 58507843) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID58507843
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cnn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)c1
InChIInChI=1S/C18H21N9O2/c1-4-19-27(5-1)15-3-2-14(23-24-15)16-20-17(25-6-10-28-11-7-25)22-18(21-16)26-8-12-29-13-9-26/h1-5H,6-13H2
InChIKeyXDMIMKBNEUMJFE-UHFFFAOYSA-N
XLogP0.19
TPSA107.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine (CID 58507843) is 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine is c1cnn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)c1.
What is the InChIKey of 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is XDMIMKBNEUMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c1-4-19-27(5-1)15-3-2-14(23-24-15)16-20-17(25-6-10-28-11-7-25)22-18(21-16)26-8-12-29-13-9-26/h1-5H,6-13H2.
What are the key properties of 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 395.43 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-6-(6-pyrazol-1-ylpyridazin-3-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58507843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).