4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride

C12H15ClN4O — CID 2842592

IUPAC4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
SMILESCN(C)c1cnn(-c2ccccc2)c(=O)c1N.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-15(2)10-8-14-16(12(17)11(10)13)9-6-4-3-5-7-9;/h3-8H,13H2,1-2H3;1H
InChIKeyKOBRBPREFPHVSG-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.30
Rot. Bonds2

About 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride

4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride (PubChem CID 2842592) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
PubChem CID2842592
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
SMILESCN(C)c1cnn(-c2ccccc2)c(=O)c1N.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-15(2)10-8-14-16(12(17)11(10)13)9-6-4-3-5-7-9;/h3-8H,13H2,1-2H3;1H
InChIKeyKOBRBPREFPHVSG-UHFFFAOYSA-N
XLogP1.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one;hydrochloride
CID 2842617
4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride
CID 2843288
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
CID 2774918
5-amino-4-chloro-2-phenylpyridazin-3-one;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 20533646
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
5-N,5-N-dimethyl-1-phenylpyrazole-3,5-diamine
CID 83864489
1-amino-1-[4-[amino(methylcarbamoyl)amino]-1-phenylpyrazol-5-yl]-3-methylurea
CID 174450330
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
CID 50876167

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride?
The IUPAC name of 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride (CID 2842592) is 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride?
The canonical SMILES for 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride is CN(C)c1cnn(-c2ccccc2)c(=O)c1N.Cl.
What is the InChIKey of 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride?
The InChIKey is KOBRBPREFPHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-15(2)10-8-14-16(12(17)11(10)13)9-6-4-3-5-7-9;/h3-8H,13H2,1-2H3;1H.
What are the key properties of 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride?
4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 2842592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).