3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

C13H15N7O3 — CID 91819010

IUPAC3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc2nnc(CNC(=O)c3cn(C)nc3OC)n2n1
InChIInChI=1S/C13H15N7O3/c1-19-7-8(13(18-19)23-3)12(21)14-6-10-16-15-9-4-5-11(22-2)17-20(9)10/h4-5,7H,6H2,1-3H3,(H,14,21)
InChIKeyMRLGIVGSAKWJEH-UHFFFAOYSA-N
MW317.31 g/mol
LogP-0.19
Rot. Bonds5

About 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 91819010) has the molecular formula C13H15N7O3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID91819010
Molecular FormulaC13H15N7O3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc2nnc(CNC(=O)c3cn(C)nc3OC)n2n1
InChIInChI=1S/C13H15N7O3/c1-19-7-8(13(18-19)23-3)12(21)14-6-10-16-15-9-4-5-11(22-2)17-20(9)10/h4-5,7H,6H2,1-3H3,(H,14,21)
InChIKeyMRLGIVGSAKWJEH-UHFFFAOYSA-N
XLogP-0.19
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 91819010) is 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is COc1ccc2nnc(CNC(=O)c3cn(C)nc3OC)n2n1.
What is the InChIKey of 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MRLGIVGSAKWJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O3/c1-19-7-8(13(18-19)23-3)12(21)14-6-10-16-15-9-4-5-11(22-2)17-20(9)10/h4-5,7H,6H2,1-3H3,(H,14,21).
What are the key properties of 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 317.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91819010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).