5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one

C15H19ClN4O3 — CID 94179576

IUPAC5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
SMILESCc1ccc([C@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)o1
InChIInChI=1S/C15H19ClN4O3/c1-10-2-3-13(23-10)12(20-4-6-22-7-5-20)9-17-11-8-18-19-15(21)14(11)16/h2-3,8,12H,4-7,9H2,1H3,(H2,17,19,21)/t12-/m0/s1
InChIKeyLOPVGVFBLKBQOY-LBPRGKRZSA-N
MW338.80 g/mol
LogP1.81
Rot. Bonds5

About 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one (PubChem CID 94179576) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
PubChem CID94179576
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
SMILESCc1ccc([C@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)o1
InChIInChI=1S/C15H19ClN4O3/c1-10-2-3-13(23-10)12(20-4-6-22-7-5-20)9-17-11-8-18-19-15(21)14(11)16/h2-3,8,12H,4-7,9H2,1H3,(H2,17,19,21)/t12-/m0/s1
InChIKeyLOPVGVFBLKBQOY-LBPRGKRZSA-N
XLogP1.81
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
CID 94818392
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72907580
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitroaniline
CID 134032103
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
6-chloro-2-cyclopropyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133432547
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
CID 55461406
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
CID 95134762
methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
CID 94820145
4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxamide
CID 133313540
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one (CID 94179576) is 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one is Cc1ccc([C@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)o1.
What is the InChIKey of 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one?
The InChIKey is LOPVGVFBLKBQOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-10-2-3-13(23-10)12(20-4-6-22-7-5-20)9-17-11-8-18-19-15(21)14(11)16/h2-3,8,12H,4-7,9H2,1H3,(H2,17,19,21)/t12-/m0/s1.
What are the key properties of 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one has a molecular weight of 338.80 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 94179576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).