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

C7H7N5O — CID 83387647

IUPACN-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc2cccnn12
InChIInChI=1S/C7H7N5O/c1-8-7(13)6-11-10-5-3-2-4-9-12(5)6/h2-4H,1H3,(H,8,13)
InChIKeyUWDUEEKNZRWTPT-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.52
Rot. Bonds1

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

N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (PubChem CID 83387647) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
PubChem CID83387647
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC NameN-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc2cccnn12
InChIInChI=1S/C7H7N5O/c1-8-7(13)6-11-10-5-3-2-4-9-12(5)6/h2-4H,1H3,(H,8,13)
InChIKeyUWDUEEKNZRWTPT-UHFFFAOYSA-N
XLogP-0.52
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (CID 83387647) is N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is CNC(=O)c1nnc2cccnn12.
What is the InChIKey of N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The InChIKey is UWDUEEKNZRWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-8-7(13)6-11-10-5-3-2-4-9-12(5)6/h2-4H,1H3,(H,8,13).
What are the key properties of N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide has a molecular weight of 177.17 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is sourced from PubChem (CID 83387647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).