N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C25H27N7 — CID 133424819

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCC(c3ccc(N(C)C)cc3)c3c[nH]c4ccccc34)nn12
InChIInChI=1S/C25H27N7/c1-4-24-28-29-25-14-13-23(30-32(24)25)27-15-20(17-9-11-18(12-10-17)31(2)3)21-16-26-22-8-6-5-7-19(21)22/h5-14,16,20,26H,4,15H2,1-3H3,(H,27,30)
InChIKeyYZDMRELUCGYSJO-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.48
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133424819) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133424819
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCC(c3ccc(N(C)C)cc3)c3c[nH]c4ccccc34)nn12
InChIInChI=1S/C25H27N7/c1-4-24-28-29-25-14-13-23(30-32(24)25)27-15-20(17-9-11-18(12-10-17)31(2)3)21-16-26-22-8-6-5-7-19(21)22/h5-14,16,20,26H,4,15H2,1-3H3,(H,27,30)
InChIKeyYZDMRELUCGYSJO-UHFFFAOYSA-N
XLogP4.48
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096596
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096599
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-propylthiourea
CID 8660529
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 25353510
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
CID 66668765
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethoxy)propanamide
CID 86949984
(2S)-2-cyclopropyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 95781093
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 42994767

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133424819) is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NCC(c3ccc(N(C)C)cc3)c3c[nH]c4ccccc34)nn12.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YZDMRELUCGYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-4-24-28-29-25-14-13-23(30-32(24)25)27-15-20(17-9-11-18(12-10-17)31(2)3)21-16-26-22-8-6-5-7-19(21)22/h5-14,16,20,26H,4,15H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 425.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).