7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine

C9H12N4O — CID 90900426

IUPAC7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine
SMILESCc1nnc(CC(C)C)c2nonc12
InChIInChI=1S/C9H12N4O/c1-5(2)4-7-9-8(12-14-13-9)6(3)10-11-7/h5H,4H2,1-3H3
InChIKeyXSRPTWGENHUFPP-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.52
Rot. Bonds2

About 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine

7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine (PubChem CID 90900426) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine
PubChem CID90900426
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine
SMILESCc1nnc(CC(C)C)c2nonc12
InChIInChI=1S/C9H12N4O/c1-5(2)4-7-9-8(12-14-13-9)6(3)10-11-7/h5H,4H2,1-3H3
InChIKeyXSRPTWGENHUFPP-UHFFFAOYSA-N
XLogP1.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
CID 91563806
3,4-bis(2-methylpropyl)-2-oxido-1,2,5-oxadiazol-2-ium
CID 4135411
2-chloro-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 55265009
1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
CID 91038228
4-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pentan-2-one
CID 79417078
2-iodo-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 63383460
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
CID 82503114
5-(chloromethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole
CID 131081482
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193246
7-chloro-2,3-dimethyl-4-(2-methylpropyl)-1H-pyrrolo[2,3-d]pyridazine
CID 88508122
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 131915930
diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium
CID 6946224

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine (CID 90900426) is 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine is Cc1nnc(CC(C)C)c2nonc12.
What is the InChIKey of 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine?
The InChIKey is XSRPTWGENHUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5(2)4-7-9-8(12-14-13-9)6(3)10-11-7/h5H,4H2,1-3H3.
What are the key properties of 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine?
7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine has a molecular weight of 192.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-d]pyridazine is sourced from PubChem (CID 90900426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).