5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C14H26ClN5O — CID 114446863

IUPAC5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(C)C(C)(CN)Nc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H26ClN5O/c1-10(2)14(3,9-16)18-11-8-17-20(7-6-19(4)5)13(21)12(11)15/h8,10,18H,6-7,9,16H2,1-5H3
InChIKeyGNPWYIUJSYYBLL-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.24
Rot. Bonds7

About 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114446863) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114446863
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(C)C(C)(CN)Nc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H26ClN5O/c1-10(2)14(3,9-16)18-11-8-17-20(7-6-19(4)5)13(21)12(11)15/h8,10,18H,6-7,9,16H2,1-5H3
InChIKeyGNPWYIUJSYYBLL-UHFFFAOYSA-N
XLogP1.24
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one with MolForge

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Related Compounds

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
CID 114446870
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114438333
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
CID 114436636
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one
CID 106177808
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114446863) is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CC(C)C(C)(CN)Nc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is GNPWYIUJSYYBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5O/c1-10(2)14(3,9-16)18-11-8-17-20(7-6-19(4)5)13(21)12(11)15/h8,10,18H,6-7,9,16H2,1-5H3.
What are the key properties of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 315.85 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114446863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).