6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide

C16H19N9O — CID 126920452

IUPAC6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N(C)C2CN(c3ccc4nncn4n3)C2)nn1
InChIInChI=1S/C16H19N9O/c1-22(2)13-5-4-12(18-20-13)16(26)23(3)11-8-24(9-11)15-7-6-14-19-17-10-25(14)21-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXXICRQMEFOXDBM-UHFFFAOYSA-N
MW353.39 g/mol
LogP-0.06
Rot. Bonds4

About 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide

6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide (PubChem CID 126920452) has the molecular formula C16H19N9O and a molecular weight of 353.39 g/mol. Its IUPAC name is 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
PubChem CID126920452
Molecular FormulaC16H19N9O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N(C)C2CN(c3ccc4nncn4n3)C2)nn1
InChIInChI=1S/C16H19N9O/c1-22(2)13-5-4-12(18-20-13)16(26)23(3)11-8-24(9-11)15-7-6-14-19-17-10-25(14)21-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXXICRQMEFOXDBM-UHFFFAOYSA-N
XLogP-0.06
TPSA95.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126920414
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
CID 134161665
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920425
2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920427
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide (CID 126920452) is 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)N(C)C2CN(c3ccc4nncn4n3)C2)nn1.
What is the InChIKey of 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide?
The InChIKey is XXICRQMEFOXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O/c1-22(2)13-5-4-12(18-20-13)16(26)23(3)11-8-24(9-11)15-7-6-14-19-17-10-25(14)21-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 126920452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).