3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C15H21N7O3 — CID 3403512

IUPAC3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-15(2,3)19-12-16-13(22-6-8-24-9-7-22)18-14(17-12)25-11-5-4-10(23)20-21-11/h4-5H,6-9H2,1-3H3,(H,20,23)(H,16,17,18,19)
InChIKeyPAOXHAYYHHZUJM-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.79
Rot. Bonds4

About 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 3403512) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID3403512
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-15(2,3)19-12-16-13(22-6-8-24-9-7-22)18-14(17-12)25-11-5-4-10(23)20-21-11/h4-5H,6-9H2,1-3H3,(H,20,23)(H,16,17,18,19)
InChIKeyPAOXHAYYHHZUJM-UHFFFAOYSA-N
XLogP0.79
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 3403512) is 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CC(C)(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is PAOXHAYYHHZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-15(2,3)19-12-16-13(22-6-8-24-9-7-22)18-14(17-12)25-11-5-4-10(23)20-21-11/h4-5H,6-9H2,1-3H3,(H,20,23)(H,16,17,18,19).
What are the key properties of 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 347.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 3403512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).