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

C9H13N5 — CID 53017570

IUPACN-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCCNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5/c1-2-3-6-10-8-4-5-9-12-11-7-14(9)13-8/h4-5,7H,2-3,6H2,1H3,(H,10,13)
InChIKeyQYSTXZTXOAPQQM-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.34
Rot. Bonds4

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

N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53017570) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53017570
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCCNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5/c1-2-3-6-10-8-4-5-9-12-11-7-14(9)13-8/h4-5,7H,2-3,6H2,1H3,(H,10,13)
InChIKeyQYSTXZTXOAPQQM-UHFFFAOYSA-N
XLogP1.34
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.34
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 N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53017570) is N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCCCNc1ccc2nncn2n1.
What is the InChIKey of N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QYSTXZTXOAPQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-3-6-10-8-4-5-9-12-11-7-14(9)13-8/h4-5,7H,2-3,6H2,1H3,(H,10,13).
What are the key properties of N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53017570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).