[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium

C19H26ClN4O+ — CID 9194978

IUPAC[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-23(2)19(11-7-4-8-12-19)14-21-16-13-22-24(18(25)17(16)20)15-9-5-3-6-10-15/h3,5-6,9-10,13,21H,4,7-8,11-12,14H2,1-2H3/p+1
InChIKeySKJOUPYPVPBKJM-UHFFFAOYSA-O
MW361.90 g/mol
LogP2.15
Rot. Bonds5

About [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium

[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium (PubChem CID 9194978) has the molecular formula C19H26ClN4O+ and a molecular weight of 361.90 g/mol. Its IUPAC name is [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
PubChem CID9194978
Molecular FormulaC19H26ClN4O+
Molecular Weight361.90 g/mol
Exact Mass361.18
IUPAC Name[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-23(2)19(11-7-4-8-12-19)14-21-16-13-22-24(18(25)17(16)20)15-9-5-3-6-10-15/h3,5-6,9-10,13,21H,4,7-8,11-12,14H2,1-2H3/p+1
InChIKeySKJOUPYPVPBKJM-UHFFFAOYSA-O
XLogP2.15
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium with MolForge

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Related Compounds

4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-chloro-5-[[(3S)-3-fluorooxan-3-yl]methylamino]-2-(4-phenoxyphenyl)pyridazin-3-one
CID 168963281
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195369
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one
CID 167971591
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium?
The IUPAC name of [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium (CID 9194978) is [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium.
What is the SMILES notation for [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium?
The canonical SMILES for [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium is C[NH+](C)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCCCC1.
What is the InChIKey of [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium?
The InChIKey is SKJOUPYPVPBKJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25ClN4O/c1-23(2)19(11-7-4-8-12-19)14-21-16-13-22-24(18(25)17(16)20)15-9-5-3-6-10-15/h3,5-6,9-10,13,21H,4,7-8,11-12,14H2,1-2H3/p+1.
What are the key properties of [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium?
[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium has a molecular weight of 361.90 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium is sourced from PubChem (CID 9194978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).