4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C14H26ClN5O — CID 114436664

IUPAC4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCCCNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H26ClN5O/c1-18(2)8-6-5-7-16-12-11-17-20(10-9-19(3)4)14(21)13(12)15/h11,16H,5-10H2,1-4H3
InChIKeyOBXKTEIVQXXFOO-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.21
Rot. Bonds9

About 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one

4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114436664) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114436664
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCCCNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C14H26ClN5O/c1-18(2)8-6-5-7-16-12-11-17-20(10-9-19(3)4)14(21)13(12)15/h11,16H,5-10H2,1-4H3
InChIKeyOBXKTEIVQXXFOO-UHFFFAOYSA-N
XLogP1.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
CID 114433901
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441286
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114436664) is 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCCCNc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is OBXKTEIVQXXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5O/c1-18(2)8-6-5-7-16-12-11-17-20(10-9-19(3)4)14(21)13(12)15/h11,16H,5-10H2,1-4H3.
What are the key properties of 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 315.85 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114436664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).