5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine

C11H17N5 — CID 62043687

IUPAC5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
SMILESCc1ccc2nnc(CCCCCN)n2n1
InChIInChI=1S/C11H17N5/c1-9-6-7-11-14-13-10(16(11)15-9)5-3-2-4-8-12/h6-7H,2-5,8,12H2,1H3
InChIKeyACOWZGNZJDZMBO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.10
Rot. Bonds5

About 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine

5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine (PubChem CID 62043687) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
PubChem CID62043687
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
SMILESCc1ccc2nnc(CCCCCN)n2n1
InChIInChI=1S/C11H17N5/c1-9-6-7-11-14-13-10(16(11)15-9)5-3-2-4-8-12/h6-7H,2-5,8,12H2,1H3
InChIKeyACOWZGNZJDZMBO-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine?
The IUPAC name of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine (CID 62043687) is 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine?
The canonical SMILES for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine is Cc1ccc2nnc(CCCCCN)n2n1.
What is the InChIKey of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine?
The InChIKey is ACOWZGNZJDZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-6-7-11-14-13-10(16(11)15-9)5-3-2-4-8-12/h6-7H,2-5,8,12H2,1H3.
What are the key properties of 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine?
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine is sourced from PubChem (CID 62043687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).