5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one

C9H14ClN5O — CID 78913428

IUPAC5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCN(Nc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C9H14ClN5O/c1-14-2-4-15(5-3-14)13-7-6-11-12-9(16)8(7)10/h6H,2-5H2,1H3,(H2,12,13,16)
InChIKeyYRPJLNPVTQGOML-UHFFFAOYSA-N
MW243.70 g/mol
LogP-0.00
Rot. Bonds2

About 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one (PubChem CID 78913428) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
PubChem CID78913428
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCN(Nc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C9H14ClN5O/c1-14-2-4-15(5-3-14)13-7-6-11-12-9(16)8(7)10/h6H,2-5H2,1H3,(H2,12,13,16)
InChIKeyYRPJLNPVTQGOML-UHFFFAOYSA-N
XLogP-0.00
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-(3-dimethylamino-propylamino)-2H-pyridazin-3-one
CID 546968
5-chloro-4-(4-ethylpiperazin-1-yl)-1H-pyridazin-6-one
CID 734444
4-chloro-5-(4-methyl-piperazin-1-yl)-pyridazin-3(2H)-one
CID 728319
4-Chloro-5-(piperidin-1-yl)pyridazin-3(2h)-one
CID 248673
4-chloro-5-{[2-(dimethylamino)ethyl]amino}-3(2H)-pyridazinone
CID 722598
4-chloro-2-methyl-5-(1-piperazinyl)-3(2H)-pyridazinone
CID 5298668
4-Chloro-5-piperazin-1-ylpyridazin-3(2H)-one
CID 15650594
4-Chloro-5-[(4-methylpiperazin-1-yl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441092
5-chloro-4-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 133431490
4-chloro-2-[2-(diethylamino)ethyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 16044059
4-chloro-2-methyl-5-(piperazin-1-yl)pyridazin-3(2H)-one hydrochloride
CID 17297424
4-Chloro-5-[[2-diethylaminoethyl]amino]pyridazin-3[2H]-one
CID 559501

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one (CID 78913428) is 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one is CN1CCN(Nc2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one?
The InChIKey is YRPJLNPVTQGOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-14-2-4-15(5-3-14)13-7-6-11-12-9(16)8(7)10/h6H,2-5H2,1H3,(H2,12,13,16).
What are the key properties of 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one has a molecular weight of 243.70 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 78913428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).