N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C17H20N8O2 — CID 126921118

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4cnn5c4OCCC5)C3)nn12
InChIInChI=1S/C17H20N8O2/c1-11-19-20-14-4-5-15(21-25(11)14)23-9-12(10-23)22(2)16(26)13-8-18-24-6-3-7-27-17(13)24/h4-5,8,12H,3,6-7,9-10H2,1-2H3
InChIKeyJSHGZASBVFZQJR-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.37
Rot. Bonds3

About N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 126921118) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID126921118
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4cnn5c4OCCC5)C3)nn12
InChIInChI=1S/C17H20N8O2/c1-11-19-20-14-4-5-15(21-25(11)14)23-9-12(10-23)22(2)16(26)13-8-18-24-6-3-7-27-17(13)24/h4-5,8,12H,3,6-7,9-10H2,1-2H3
InChIKeyJSHGZASBVFZQJR-UHFFFAOYSA-N
XLogP0.37
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
CID 126921171
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
CID 126921502
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide
CID 126921100
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide
CID 126921173
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921303
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
CID 134161372
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2,4-difluoro-N-methylbenzamide
CID 134161488

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 126921118) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1nnc2ccc(N3CC(N(C)C(=O)c4cnn5c4OCCC5)C3)nn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JSHGZASBVFZQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-11-19-20-14-4-5-15(21-25(11)14)23-9-12(10-23)22(2)16(26)13-8-18-24-6-3-7-27-17(13)24/h4-5,8,12H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 126921118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).