5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one

C15H18ClN3O — CID 8850852

IUPAC5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one
SMILESCCCCCc1ccc(Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-3-4-5-11-6-8-12(9-7-11)18-13-10-17-19-15(20)14(13)16/h6-10H,2-5H2,1H3,(H2,18,19,20)
InChIKeyMOKBXVASNOHIQT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds6

About 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one

5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one (PubChem CID 8850852) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one
PubChem CID8850852
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one
SMILESCCCCCc1ccc(Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-3-4-5-11-6-8-12(9-7-11)18-13-10-17-19-15(20)14(13)16/h6-10H,2-5H2,1H3,(H2,18,19,20)
InChIKeyMOKBXVASNOHIQT-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine
CID 153390054
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
CID 61249293
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
5-chloro-4-pentoxy-1H-pyridazin-6-one
CID 58896774
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
1,8-bis(4-dodecylanilino)anthracene-9,10-dione
CID 5463778
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
CID 70929908
3-(4-butylanilino)-4H-1,2,4-triazin-5-one
CID 135445446
1-[2-(4-pentylanilino)phenyl]ethanone
CID 155289993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one (CID 8850852) is 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one is CCCCCc1ccc(Nc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one?
The InChIKey is MOKBXVASNOHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-3-4-5-11-6-8-12(9-7-11)18-13-10-17-19-15(20)14(13)16/h6-10H,2-5H2,1H3,(H2,18,19,20).
What are the key properties of 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one?
5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one has a molecular weight of 291.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 8850852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).