3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

C7H7N3O2 — CID 27538

IUPAC3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2noc(C)c12
InChIInChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)
InChIKeyDINKYECDKUZHJM-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.53
Rot. Bonds

About 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 27538) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID27538
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2noc(C)c12
InChIInChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)
InChIKeyDINKYECDKUZHJM-UHFFFAOYSA-N
XLogP0.53
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
CID 33024
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 6-(2-(dimethylamino)ethyl)-3,4-dimethyl-
CID 3039781
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 6-(2-(diethylamino)ethyl)-3,4-dimethyl-
CID 3039782
4-Fluoro-5-methyl-1,2-oxazole-3-carbohydrazide
CID 172561389
4-Fluoro-5-methyl-1,2-oxazole-3-carboxamide
CID 175602751
N'-amino-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole-3-carbohydrazide
CID 176065938
5-(Difluoromethyl)-4-ethyl-1,2-oxazole-3-carboxamide
CID 176065941
4-Ethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 176065945
2-(Dimethyl-1,2-oxazol-4-yl)acetohydrazide
CID 33702447
3-Methyl-5,6-dihydroisoxazolo[3,4-d]pyridazine-4,7-dione
CID 72942980
5-Methyl-1,2-oxazole-3,4-dicarbohydrazide
CID 86186123
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]cyclopropanecarbohydrazide
CID 34261196

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 27538) is 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1n[nH]c(=O)c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is DINKYECDKUZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11).
What are the key properties of 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 165.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 27538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).