6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one

C6H5N3O2 — CID 135463570

IUPAC6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one
SMILESCc1cc2nonc2c(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c1-3-2-4-5(6(10)7-3)9-11-8-4/h2H,1H3,(H,7,10)
InChIKeyPALPWHNRBBJEMG-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.22
Rot. Bonds

About 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one

6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one (PubChem CID 135463570) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one
PubChem CID135463570
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one
SMILESCc1cc2nonc2c(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c1-3-2-4-5(6(10)7-3)9-11-8-4/h2H,1H3,(H,7,10)
InChIKeyPALPWHNRBBJEMG-UHFFFAOYSA-N
XLogP0.22
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 45079524
4-bromo-6-methyl-2,1,3-benzoxadiazole
CID 568583
5-methyl-6H-furo[2,3-c]pyridin-7-one
CID 143293213
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide
CID 57374330
4-ethyl-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 137390743
4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 1299899
3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
CID 71408696
5-methyl-2,1,3-benzoxadiazole
CID 519763
3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 82526324
3-isocyano-4,6-dimethyl-1H-pyridin-2-one
CID 140776702

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one?
The IUPAC name of 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one (CID 135463570) is 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one?
The canonical SMILES for 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one is Cc1cc2nonc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one?
The InChIKey is PALPWHNRBBJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-3-2-4-5(6(10)7-3)9-11-8-4/h2H,1H3,(H,7,10).
What are the key properties of 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one?
6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one has a molecular weight of 151.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5H-[1,2,5]oxadiazolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 135463570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).