5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one

C14H25ClN4O — CID 114446870

IUPAC5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(NC(C)(CN)C(C)C)c(Cl)c1=O
InChIInChI=1S/C14H25ClN4O/c1-5-6-7-19-13(20)12(15)11(8-17-19)18-14(4,9-16)10(2)3/h8,10,18H,5-7,9,16H2,1-4H3
InChIKeyMOWNRMZAIBWZSW-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.48
Rot. Bonds7

About 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one (PubChem CID 114446870) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one.

Molecular Properties

Compound Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
PubChem CID114446870
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(NC(C)(CN)C(C)C)c(Cl)c1=O
InChIInChI=1S/C14H25ClN4O/c1-5-6-7-19-13(20)12(15)11(8-17-19)18-14(4,9-16)10(2)3/h8,10,18H,5-7,9,16H2,1-4H3
InChIKeyMOWNRMZAIBWZSW-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446863
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one?
The IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one (CID 114446870) is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one.
What is the SMILES notation for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one?
The canonical SMILES for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one is CCCCn1ncc(NC(C)(CN)C(C)C)c(Cl)c1=O.
What is the InChIKey of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one?
The InChIKey is MOWNRMZAIBWZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-5-6-7-19-13(20)12(15)11(8-17-19)18-14(4,9-16)10(2)3/h8,10,18H,5-7,9,16H2,1-4H3.
What are the key properties of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one?
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one has a molecular weight of 300.83 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one is sourced from PubChem (CID 114446870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).