[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine

C6H7N5 — CID 75355624

IUPAC[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine
SMILESNCc1nnc2cccnn12
InChIInChI=1S/C6H7N5/c7-4-6-10-9-5-2-1-3-8-11(5)6/h1-3H,4,7H2
InChIKeyFJAANHMNFVSWQD-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.42
Rot. Bonds1

About [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine

[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine (PubChem CID 75355624) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine
PubChem CID75355624
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine
SMILESNCc1nnc2cccnn12
InChIInChI=1S/C6H7N5/c7-4-6-10-9-5-2-1-3-8-11(5)6/h1-3H,4,7H2
InChIKeyFJAANHMNFVSWQD-UHFFFAOYSA-N
XLogP-0.42
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine?
The IUPAC name of [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine (CID 75355624) is [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine.
What is the SMILES notation for [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine?
The canonical SMILES for [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine is NCc1nnc2cccnn12.
What is the InChIKey of [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine?
The InChIKey is FJAANHMNFVSWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c7-4-6-10-9-5-2-1-3-8-11(5)6/h1-3H,4,7H2.
What are the key properties of [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine?
[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine has a molecular weight of 149.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-b]pyridazin-3-ylmethanamine is sourced from PubChem (CID 75355624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).