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

C14H17ClN4O2S — CID 94818392

IUPAC5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@H](c2cccs2)N2CCOCC2)c1Cl
InChIInChI=1S/C14H17ClN4O2S/c15-13-10(8-17-18-14(13)20)16-9-11(12-2-1-7-22-12)19-3-5-21-6-4-19/h1-2,7-8,11H,3-6,9H2,(H2,16,18,20)/t11-/m1/s1
InChIKeyIOPUNRPOSNVRHA-LLVKDONJSA-N
MW340.84 g/mol
LogP1.97
Rot. Bonds5

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

5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one (PubChem CID 94818392) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
PubChem CID94818392
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@H](c2cccs2)N2CCOCC2)c1Cl
InChIInChI=1S/C14H17ClN4O2S/c15-13-10(8-17-18-14(13)20)16-9-11(12-2-1-7-22-12)19-3-5-21-6-4-19/h1-2,7-8,11H,3-6,9H2,(H2,16,18,20)/t11-/m1/s1
InChIKeyIOPUNRPOSNVRHA-LLVKDONJSA-N
XLogP1.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
CID 94179576
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
CID 138988712
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083929
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94180353
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 30639392
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one (CID 94818392) is 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC[C@H](c2cccs2)N2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one?
The InChIKey is IOPUNRPOSNVRHA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c15-13-10(8-17-18-14(13)20)16-9-11(12-2-1-7-22-12)19-3-5-21-6-4-19/h1-2,7-8,11H,3-6,9H2,(H2,16,18,20)/t11-/m1/s1.
What are the key properties of 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one has a molecular weight of 340.84 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 94818392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).