N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C17H20N8O — CID 126921987

IUPACN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1)c1cn[nH]c1
InChIInChI=1S/C17H20N8O/c26-17(13-7-19-20-8-13)18-6-11-9-24(10-11)15-5-4-14-21-22-16(25(14)23-15)12-2-1-3-12/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,18,26)(H,19,20)
InChIKeyLGTVUVSNTCWMBE-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.98
Rot. Bonds5

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

N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 126921987) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID126921987
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1)c1cn[nH]c1
InChIInChI=1S/C17H20N8O/c26-17(13-7-19-20-8-13)18-6-11-9-24(10-11)15-5-4-14-21-22-16(25(14)23-15)12-2-1-3-12/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,18,26)(H,19,20)
InChIKeyLGTVUVSNTCWMBE-UHFFFAOYSA-N
XLogP0.98
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126921555
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 126921971
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 126921969
2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]cyclohexan-1-ol
CID 126922083
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126919969
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
CID 126922094
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126922071
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 126922056
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 126922061
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidin-4-amine
CID 126922070
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126921588

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 126921987) is N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LGTVUVSNTCWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c26-17(13-7-19-20-8-13)18-6-11-9-24(10-11)15-5-4-14-21-22-16(25(14)23-15)12-2-1-3-12/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,18,26)(H,19,20).
What are the key properties of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126921987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).