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

C12H11N5 — CID 20880739

IUPACN-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CNc2ccc3nncn3n2)cc1
InChIInChI=1S/C12H11N5/c1-2-4-10(5-3-1)8-13-11-6-7-12-15-14-9-17(12)16-11/h1-7,9H,8H2,(H,13,16)
InChIKeyIFDLJCBSGDSQKH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.74
Rot. Bonds3

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

N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 20880739) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID20880739
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC NameN-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CNc2ccc3nncn3n2)cc1
InChIInChI=1S/C12H11N5/c1-2-4-10(5-3-1)8-13-11-6-7-12-15-14-9-17(12)16-11/h1-7,9H,8H2,(H,13,16)
InChIKeyIFDLJCBSGDSQKH-UHFFFAOYSA-N
XLogP1.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 20880739) is N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(CNc2ccc3nncn3n2)cc1.
What is the InChIKey of N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is IFDLJCBSGDSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-4-10(5-3-1)8-13-11-6-7-12-15-14-9-17(12)16-11/h1-7,9H,8H2,(H,13,16).
What are the key properties of N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 225.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 20880739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).