N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide

C14H15N7O2 — CID 126920807

IUPACN-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1nnc2ccc(N3CC(CNC(=O)c4ccno4)C3)nn12
InChIInChI=1S/C14H15N7O2/c1-9-17-18-12-2-3-13(19-21(9)12)20-7-10(8-20)6-15-14(22)11-4-5-16-23-11/h2-5,10H,6-8H2,1H3,(H,15,22)
InChIKeyIVIQHRBPZBRULD-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.29
Rot. Bonds4

About N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 126920807) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID126920807
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1nnc2ccc(N3CC(CNC(=O)c4ccno4)C3)nn12
InChIInChI=1S/C14H15N7O2/c1-9-17-18-12-2-3-13(19-21(9)12)20-7-10(8-20)6-15-14(22)11-4-5-16-23-11/h2-5,10H,6-8H2,1H3,(H,15,22)
InChIKeyIVIQHRBPZBRULD-UHFFFAOYSA-N
XLogP0.29
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3,4-dihydro-1H-isochromene-3-carboxamide
CID 126920856
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-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 126922420
N-[(3-methylthiophen-2-yl)methyl]-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920962
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126922397
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
4,4,4-trifluoro-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 154883649
1-(cyclopropylmethyl)-3-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126921076
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-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920880
2,5-dimethyl-6-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126921063
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 121036367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 126920807) is N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1nnc2ccc(N3CC(CNC(=O)c4ccno4)C3)nn12.
What is the InChIKey of N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IVIQHRBPZBRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-9-17-18-12-2-3-13(19-21(9)12)20-7-10(8-20)6-15-14(22)11-4-5-16-23-11/h2-5,10H,6-8H2,1H3,(H,15,22).
What are the key properties of N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).