N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C18H21N5O2 — CID 71924565

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(-n3ccc(C)n3)nn2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-10-23(22-12)18-8-7-17(20-21-18)19-13(2)15-11-14(24-3)5-6-16(15)25-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeySAFWTNGGWOELRM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.16
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 71924565) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID71924565
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(-n3ccc(C)n3)nn2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-10-23(22-12)18-8-7-17(20-21-18)19-13(2)15-11-14(24-3)5-6-16(15)25-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeySAFWTNGGWOELRM-UHFFFAOYSA-N
XLogP3.16
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
CID 133431845
N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133345372
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 17023123
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708576
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
CID 107649577
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
4-ethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327122

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 71924565) is N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is COc1ccc(OC)c(C(C)Nc2ccc(-n3ccc(C)n3)nn2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is SAFWTNGGWOELRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-9-10-23(22-12)18-8-7-17(20-21-18)19-13(2)15-11-14(24-3)5-6-16(15)25-4/h5-11,13H,1-4H3,(H,19,20).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 339.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 71924565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).