6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile

C6H4N6 — CID 131564254

IUPAC6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
SMILESN#Cc1nnc2ccc(N)nn12
InChIInChI=1S/C6H4N6/c7-3-6-10-9-5-2-1-4(8)11-12(5)6/h1-2H,(H2,8,11)
InChIKeyGKCLYZUHELJPND-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.42
Rot. Bonds

About 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile

6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile (PubChem CID 131564254) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
PubChem CID131564254
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
SMILESN#Cc1nnc2ccc(N)nn12
InChIInChI=1S/C6H4N6/c7-3-6-10-9-5-2-1-4(8)11-12(5)6/h1-2H,(H2,8,11)
InChIKeyGKCLYZUHELJPND-UHFFFAOYSA-N
XLogP-0.42
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile (CID 131564254) is 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile is N#Cc1nnc2ccc(N)nn12.
What is the InChIKey of 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile?
The InChIKey is GKCLYZUHELJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c7-3-6-10-9-5-2-1-4(8)11-12(5)6/h1-2H,(H2,8,11).
What are the key properties of 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile?
6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 131564254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).