4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one

C18H17Cl2N3O2 — CID 97019777

IUPAC4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
SMILESC[C@H](CCc1ccco1)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C18H17Cl2N3O2/c1-12(4-9-15-3-2-10-25-15)22-16-11-21-23(18(24)17(16)20)14-7-5-13(19)6-8-14/h2-3,5-8,10-12,22H,4,9H2,1H3/t12-/m1/s1
InChIKeyPKBRMXRALHEBCM-GFCCVEGCSA-N
MW378.26 g/mol
LogP4.57
Rot. Bonds6

About 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one (PubChem CID 97019777) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
PubChem CID97019777
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
SMILESC[C@H](CCc1ccco1)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C18H17Cl2N3O2/c1-12(4-9-15-3-2-10-25-15)22-16-11-21-23(18(24)17(16)20)14-7-5-13(19)6-8-14/h2-3,5-8,10-12,22H,4,9H2,1H3/t12-/m1/s1
InChIKeyPKBRMXRALHEBCM-GFCCVEGCSA-N
XLogP4.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
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-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 95916057
5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 99804901
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512
5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 71103500
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one (CID 97019777) is 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one is C[C@H](CCc1ccco1)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one?
The InChIKey is PKBRMXRALHEBCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-12(4-9-15-3-2-10-25-15)22-16-11-21-23(18(24)17(16)20)14-7-5-13(19)6-8-14/h2-3,5-8,10-12,22H,4,9H2,1H3/t12-/m1/s1.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one has a molecular weight of 378.26 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one is sourced from PubChem (CID 97019777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).