4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one

C18H18ClN3O2 — CID 9340704

IUPAC4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
SMILESC[C@@H](CCc1ccco1)Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H18ClN3O2/c1-13(9-10-15-8-5-11-24-15)21-16-12-20-22(18(23)17(16)19)14-6-3-2-4-7-14/h2-8,11-13,21H,9-10H2,1H3/t13-/m0/s1
InChIKeyNWSULLHRLZZTAK-ZDUSSCGKSA-N
MW343.81 g/mol
LogP3.91
Rot. Bonds6

About 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one

4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one (PubChem CID 9340704) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
PubChem CID9340704
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
SMILESC[C@@H](CCc1ccco1)Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H18ClN3O2/c1-13(9-10-15-8-5-11-24-15)21-16-12-20-22(18(23)17(16)19)14-6-3-2-4-7-14/h2-8,11-13,21H,9-10H2,1H3/t13-/m0/s1
InChIKeyNWSULLHRLZZTAK-ZDUSSCGKSA-N
XLogP3.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114436028
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490811
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195368
4-chloro-2-phenyl-5-[1-(1-phenyltriazol-4-yl)ethylamino]pyridazin-3-one
CID 133365427
4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one (CID 9340704) is 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one is C[C@@H](CCc1ccco1)Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one?
The InChIKey is NWSULLHRLZZTAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-13(9-10-15-8-5-11-24-15)21-16-12-20-22(18(23)17(16)19)14-6-3-2-4-7-14/h2-8,11-13,21H,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one?
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one has a molecular weight of 343.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9340704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).