4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one

C15H18ClN3O — CID 47174554

IUPAC4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
SMILESCn1ncc(NCC(C)(C)c2ccccc2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O/c1-15(2,11-7-5-4-6-8-11)10-17-12-9-18-19(3)14(20)13(12)16/h4-9,17H,10H2,1-3H3
InChIKeyCTTGYROGHLRXBN-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one (PubChem CID 47174554) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
PubChem CID47174554
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
SMILESCn1ncc(NCC(C)(C)c2ccccc2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O/c1-15(2,11-7-5-4-6-8-11)10-17-12-9-18-19(3)14(20)13(12)16/h4-9,17H,10H2,1-3H3
InChIKeyCTTGYROGHLRXBN-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 133323930
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-2-methyl-5-[(1-phenylsulfanylcyclopropyl)methylamino]pyridazin-3-one
CID 133296913
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
4-chloro-2-methyl-5-[(2-nitrophenyl)methylamino]pyridazin-3-one
CID 47281920
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one (CID 47174554) is 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one is Cn1ncc(NCC(C)(C)c2ccccc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one?
The InChIKey is CTTGYROGHLRXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2,11-7-5-4-6-8-11)10-17-12-9-18-19(3)14(20)13(12)16/h4-9,17H,10H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one has a molecular weight of 291.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one is sourced from PubChem (CID 47174554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).