6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one

C14H17N3O — CID 62923540

IUPAC6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCNC(Cn1nc(C)ccc1=O)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-11-8-9-14(18)17(16-11)10-13(15-2)12-6-4-3-5-7-12/h3-9,13,15H,10H2,1-2H3
InChIKeyDPCCKBDBTDNSML-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.51
Rot. Bonds4

About 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one

6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (PubChem CID 62923540) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
PubChem CID62923540
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCNC(Cn1nc(C)ccc1=O)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-11-8-9-14(18)17(16-11)10-13(15-2)12-6-4-3-5-7-12/h3-9,13,15H,10H2,1-2H3
InChIKeyDPCCKBDBTDNSML-UHFFFAOYSA-N
XLogP1.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one
CID 62923203
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62851014
6-methyl-2-[2-(methylamino)propyl]pyridazin-3-one
CID 62923532
3-(3-methyl-6-oxopyridazin-1-yl)-2-phenylpropanethioamide
CID 64535938
2-[(2S)-2-aminopropyl]-6-methylpyridazin-3-one
CID 94898157
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-(3-bromo-2-methylpropyl)-6-methylpyridazin-3-one
CID 64995557
2-[2-(4-bromophenyl)-2-hydroxyethyl]-6-methylpyridazin-3-one
CID 110936081
6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863947
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
CID 129259620
2-[2-hydroxy-2-(3-nitrophenyl)ethyl]-6-methylpyridazin-3-one
CID 84591304

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (CID 62923540) is 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is CNC(Cn1nc(C)ccc1=O)c1ccccc1.
What is the InChIKey of 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The InChIKey is DPCCKBDBTDNSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-8-9-14(18)17(16-11)10-13(15-2)12-6-4-3-5-7-12/h3-9,13,15H,10H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is sourced from PubChem (CID 62923540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).