[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

C6H5N5O — CID 12606980

IUPAC[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2cccnn12
InChIInChI=1S/C6H5N5O/c7-5(12)6-10-9-4-2-1-3-8-11(4)6/h1-3H,(H2,7,12)
InChIKeyVOVWBOAVCLMBRX-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.78
Rot. Bonds1

About [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (PubChem CID 12606980) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
PubChem CID12606980
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2cccnn12
InChIInChI=1S/C6H5N5O/c7-5(12)6-10-9-4-2-1-3-8-11(4)6/h1-3H,(H2,7,12)
InChIKeyVOVWBOAVCLMBRX-UHFFFAOYSA-N
XLogP-0.78
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.78
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]pyridazine-3-carboxamide?
The IUPAC name of [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (CID 12606980) is [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.
What is the SMILES notation for [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The canonical SMILES for [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is NC(=O)c1nnc2cccnn12.
What is the InChIKey of [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The InChIKey is VOVWBOAVCLMBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-5(12)6-10-9-4-2-1-3-8-11(4)6/h1-3H,(H2,7,12).
What are the key properties of [1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide has a molecular weight of 163.14 g/mol, XLogP of -0.78, 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]pyridazine-3-carboxamide is sourced from PubChem (CID 12606980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).