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

C13H19ClN6O — CID 114433450

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
SMILESCCn1cc(Nc2cnn(CCN(C)C)c(=O)c2Cl)cn1
InChIInChI=1S/C13H19ClN6O/c1-4-19-9-10(7-15-19)17-11-8-16-20(6-5-18(2)3)13(21)12(11)14/h7-9,17H,4-6H2,1-3H3
InChIKeyPKAATGWVMMZIKW-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.42
Rot. Bonds6

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

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one (PubChem CID 114433450) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
PubChem CID114433450
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
SMILESCCn1cc(Nc2cnn(CCN(C)C)c(=O)c2Cl)cn1
InChIInChI=1S/C13H19ClN6O/c1-4-19-9-10(7-15-19)17-11-8-16-20(6-5-18(2)3)13(21)12(11)14/h7-9,17H,4-6H2,1-3H3
InChIKeyPKAATGWVMMZIKW-UHFFFAOYSA-N
XLogP1.42
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
CID 114433442
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-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-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433444
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-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
CID 114436613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one (CID 114433450) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one is CCn1cc(Nc2cnn(CCN(C)C)c(=O)c2Cl)cn1.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The InChIKey is PKAATGWVMMZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O/c1-4-19-9-10(7-15-19)17-11-8-16-20(6-5-18(2)3)13(21)12(11)14/h7-9,17H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one has a molecular weight of 310.79 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114433450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).