2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one

C14H17N5O3 — CID 121098410

IUPAC2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one
SMILESCC(C)c1noc(C2CN(C(=O)c3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C14H17N5O3/c1-8(2)12-15-13(22-17-12)9-6-19(7-9)14(21)10-4-5-11(20)18(3)16-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyTZMOTVFWBFOIHW-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.53
Rot. Bonds3

About 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one (PubChem CID 121098410) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one
PubChem CID121098410
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one
SMILESCC(C)c1noc(C2CN(C(=O)c3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C14H17N5O3/c1-8(2)12-15-13(22-17-12)9-6-19(7-9)14(21)10-4-5-11(20)18(3)16-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyTZMOTVFWBFOIHW-UHFFFAOYSA-N
XLogP0.53
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098383
(3,4-dimethylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098468
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
(3-methylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098465
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098600
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121098510
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
(2-methoxy-3-pyridinyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098437
(2-bromo-5-methoxyphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098421
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302
6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121164410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one (CID 121098410) is 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one is CC(C)c1noc(C2CN(C(=O)c3ccc(=O)n(C)n3)C2)n1.
What is the InChIKey of 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one?
The InChIKey is TZMOTVFWBFOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8(2)12-15-13(22-17-12)9-6-19(7-9)14(21)10-4-5-11(20)18(3)16-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one has a molecular weight of 303.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 121098410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).