N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine

C17H20N4O2 — CID 14458432

IUPACN-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine
SMILESc1ccc2c(c1)OCc1cc(NCCN3CCOCC3)nnc1-2
InChIInChI=1S/C17H20N4O2/c1-2-4-15-14(3-1)17-13(12-23-15)11-16(19-20-17)18-5-6-21-7-9-22-10-8-21/h1-4,11H,5-10,12H2,(H,18,19)
InChIKeyPXBIVGHVQKQIAP-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.78
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine

N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine (PubChem CID 14458432) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine
PubChem CID14458432
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine
SMILESc1ccc2c(c1)OCc1cc(NCCN3CCOCC3)nnc1-2
InChIInChI=1S/C17H20N4O2/c1-2-4-15-14(3-1)17-13(12-23-15)11-16(19-20-17)18-5-6-21-7-9-22-10-8-21/h1-4,11H,5-10,12H2,(H,18,19)
InChIKeyPXBIVGHVQKQIAP-UHFFFAOYSA-N
XLogP1.78
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Moxiraprine
CID 71258
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
US10308614, Example 8
CID 137029438
N'-(6-chloropyridazin-3-yl)-N-(3,4-dihydro-2H-chromen-2-ylmethyl)propane-1,3-diamine
CID 18694196
Phenol, 3-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 6410666
Phenol, 2-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 135770314
3-[4-(2-Methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine
CID 648801
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422442
N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-2-phenoxy-acetamide
CID 7593156
N-(4-(6-morpholinopyridazin-3-yl)phenyl)-2-phenoxyacetamide
CID 7593312
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine (CID 14458432) is N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine is c1ccc2c(c1)OCc1cc(NCCN3CCOCC3)nnc1-2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine?
The InChIKey is PXBIVGHVQKQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-4-15-14(3-1)17-13(12-23-15)11-16(19-20-17)18-5-6-21-7-9-22-10-8-21/h1-4,11H,5-10,12H2,(H,18,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine?
N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine has a molecular weight of 312.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5H-chromeno[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 14458432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).