4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine

C19H25N7O3 — CID 27396221

IUPAC4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
SMILESC=CCOc1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)nn1
InChIInChI=1S/C19H25N7O3/c1-2-12-28-15-6-7-16(24-23-15)29-19-21-17(25-8-4-3-5-9-25)20-18(22-19)26-10-13-27-14-11-26/h2,6-7H,1,3-5,8-14H2
InChIKeyAQXPURKZCAVODV-UHFFFAOYSA-N
MW399.46 g/mol
LogP1.85
Rot. Bonds7

About 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine

4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine (PubChem CID 27396221) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
PubChem CID27396221
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
SMILESC=CCOc1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)nn1
InChIInChI=1S/C19H25N7O3/c1-2-12-28-15-6-7-16(24-23-15)29-19-21-17(25-8-4-3-5-9-25)20-18(22-19)26-10-13-27-14-11-26/h2,6-7H,1,3-5,8-14H2
InChIKeyAQXPURKZCAVODV-UHFFFAOYSA-N
XLogP1.85
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 29131756
4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 122592521
N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine
CID 23607077
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
CID 2975111
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-(3-prop-2-enoxypyrazin-2-yl)morpholine
CID 57067635
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031

Frequently Asked Questions

What is the IUPAC name of 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine (CID 27396221) is 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine is C=CCOc1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)nn1.
What is the InChIKey of 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine?
The InChIKey is AQXPURKZCAVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-2-12-28-15-6-7-16(24-23-15)29-19-21-17(25-8-4-3-5-9-25)20-18(22-19)26-10-13-27-14-11-26/h2,6-7H,1,3-5,8-14H2.
What are the key properties of 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine?
4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine has a molecular weight of 399.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 27396221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).