N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C13H12N6O2 — CID 146079216

IUPACN-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nnc(C)n3n2)cn1
InChIInChI=1S/C13H12N6O2/c1-8-16-17-11-5-4-10(18-19(8)11)13(20)15-9-3-6-12(21-2)14-7-9/h3-7H,1-2H3,(H,15,20)
InChIKeyDWUQCWSSYBGUII-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.09
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 146079216) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID146079216
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nnc(C)n3n2)cn1
InChIInChI=1S/C13H12N6O2/c1-8-16-17-11-5-4-10(18-19(8)11)13(20)15-9-3-6-12(21-2)14-7-9/h3-7H,1-2H3,(H,15,20)
InChIKeyDWUQCWSSYBGUII-UHFFFAOYSA-N
XLogP1.09
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079000
1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 121036797
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 71703668
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079132

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 146079216) is N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3nnc(C)n3n2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is DWUQCWSSYBGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-16-17-11-5-4-10(18-19(8)11)13(20)15-9-3-6-12(21-2)14-7-9/h3-7H,1-2H3,(H,15,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 146079216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).