3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H26N6 — CID 133489463

IUPAC3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCCN3CCc4ccccc43)nn12
InChIInChI=1S/C20H26N6/c1-20(2,3)19-23-22-18-10-9-17(24-26(18)19)21-12-6-13-25-14-11-15-7-4-5-8-16(15)25/h4-5,7-10H,6,11-14H2,1-3H3,(H,21,24)
InChIKeyKGHUVSIQXFAIJA-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.29
Rot. Bonds5

About 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133489463) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133489463
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCCN3CCc4ccccc43)nn12
InChIInChI=1S/C20H26N6/c1-20(2,3)19-23-22-18-10-9-17(24-26(18)19)21-12-6-13-25-14-11-15-7-4-5-8-16(15)25/h4-5,7-10H,6,11-14H2,1-3H3,(H,21,24)
InChIKeyKGHUVSIQXFAIJA-UHFFFAOYSA-N
XLogP3.29
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine
CID 34058867
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488471
3-tert-butyl-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488234
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714
1-butyl-2,3-dihydroindole
CID 4167209
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 112820602
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30253872

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133489463) is 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)c1nnc2ccc(NCCCN3CCc4ccccc43)nn12.
What is the InChIKey of 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KGHUVSIQXFAIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-20(2,3)19-23-22-18-10-9-17(24-26(18)19)21-12-6-13-25-14-11-15-7-4-5-8-16(15)25/h4-5,7-10H,6,11-14H2,1-3H3,(H,21,24).
What are the key properties of 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 350.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133489463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).