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

C14H25ClN4O2 — CID 106177808

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one
SMILESCCC(C)(CCO)Nc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H25ClN4O2/c1-5-14(2,6-9-20)17-11-10-16-19(8-7-18(3)4)13(21)12(11)15/h10,17,20H,5-9H2,1-4H3
InChIKeyFRCZAYHOHCIZCJ-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.42
Rot. Bonds8

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

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one (PubChem CID 106177808) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one
PubChem CID106177808
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one
SMILESCCC(C)(CCO)Nc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H25ClN4O2/c1-5-14(2,6-9-20)17-11-10-16-19(8-7-18(3)4)13(21)12(11)15/h10,17,20H,5-9H2,1-4H3
InChIKeyFRCZAYHOHCIZCJ-UHFFFAOYSA-N
XLogP1.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
CID 114442752
4-chloro-2-[2-(dimethylamino)ethyl]-5-(4-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114441261
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446863
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
4-chloro-2-(2-hydroxyethyl)-5-[3-(hydroxymethyl)pentan-3-ylamino]pyridazin-3-one
CID 114437198
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
CID 114433901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one (CID 106177808) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one is CCC(C)(CCO)Nc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one?
The InChIKey is FRCZAYHOHCIZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O2/c1-5-14(2,6-9-20)17-11-10-16-19(8-7-18(3)4)13(21)12(11)15/h10,17,20H,5-9H2,1-4H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one has a molecular weight of 316.83 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106177808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).