6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile

C15H16N4O2 — CID 133431845

IUPAC6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(C#N)nn2)c1
InChIInChI=1S/C15H16N4O2/c1-10(17-15-7-4-11(9-16)18-19-15)13-8-12(20-2)5-6-14(13)21-3/h4-8,10H,1-3H3,(H,17,19)
InChIKeyBHTZWJQMBWPFLU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.54
Rot. Bonds5

About 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile

6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile (PubChem CID 133431845) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
PubChem CID133431845
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(C#N)nn2)c1
InChIInChI=1S/C15H16N4O2/c1-10(17-15-7-4-11(9-16)18-19-15)13-8-12(20-2)5-6-14(13)21-3/h4-8,10H,1-3H3,(H,17,19)
InChIKeyBHTZWJQMBWPFLU-UHFFFAOYSA-N
XLogP2.54
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 71924565
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
2-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]benzonitrile
CID 42921657
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
CID 107649577
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
N-[1-(2,5-dimethoxyphenyl)ethyl]hex-5-yn-1-amine
CID 103903654
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile (CID 133431845) is 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile is COc1ccc(OC)c(C(C)Nc2ccc(C#N)nn2)c1.
What is the InChIKey of 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile?
The InChIKey is BHTZWJQMBWPFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(17-15-7-4-11(9-16)18-19-15)13-8-12(20-2)5-6-14(13)21-3/h4-8,10H,1-3H3,(H,17,19).
What are the key properties of 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile?
6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133431845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).