3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C11H17N5 — CID 141276323

IUPAC3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCCCCc1nnc2ccc(N)nn12
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-10-13-14-11-8-7-9(12)15-16(10)11/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyQNRSSTZYMUIQPN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds5

About 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 141276323) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID141276323
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCCCCc1nnc2ccc(N)nn12
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-10-13-14-11-8-7-9(12)15-16(10)11/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyQNRSSTZYMUIQPN-UHFFFAOYSA-N
XLogP1.83
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hexyl-[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

6-chloro-3-heptyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144368
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
3-octyl-1,2,4-triazol-4-amine
CID 165358643
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387950
6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 170987124

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 141276323) is 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCCCCCc1nnc2ccc(N)nn12.
What is the InChIKey of 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QNRSSTZYMUIQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-3-4-5-6-10-13-14-11-8-7-9(12)15-16(10)11/h7-8H,2-6H2,1H3,(H2,12,15).
What are the key properties of 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 219.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 141276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).