7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine

C6H4IN3O — CID 174263690

IUPAC7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine
SMILESCc1nnc(I)c2oncc12
InChIInChI=1S/C6H4IN3O/c1-3-4-2-8-11-5(4)6(7)10-9-3/h2H,1H3
InChIKeyPRFQLDWNEBPBKQ-UHFFFAOYSA-N
MW261.02 g/mol
LogP1.53
Rot. Bonds

About 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine

7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine (PubChem CID 174263690) has the molecular formula C6H4IN3O and a molecular weight of 261.02 g/mol. Its IUPAC name is 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine
PubChem CID174263690
Molecular FormulaC6H4IN3O
Molecular Weight261.02 g/mol
Exact Mass260.94
IUPAC Name7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine
SMILESCc1nnc(I)c2oncc12
InChIInChI=1S/C6H4IN3O/c1-3-4-2-8-11-5(4)6(7)10-9-3/h2H,1H3
InChIKeyPRFQLDWNEBPBKQ-UHFFFAOYSA-N
XLogP1.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-7-propan-2-yl-1,2-benzoxazole
CID 174273326
(7-methyl-[1,2]oxazolo[5,4-c]pyridin-4-yl)methanol
CID 101492948
5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 145409612
3,4-diiodo-5,6-dimethylpyridazine
CID 143289460
7-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 118899227
5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole
CID 13047562
4-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 167521959
5-iodo-6-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 134514187
5-tert-butyl-7-iodo-1,2-benzoxazole
CID 13047566
4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole
CID 170292106
ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 143976601
7-chloro-1,2-benzoxazol-4-ol
CID 136743881

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine?
The IUPAC name of 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine (CID 174263690) is 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine is Cc1nnc(I)c2oncc12.
What is the InChIKey of 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine?
The InChIKey is PRFQLDWNEBPBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3O/c1-3-4-2-8-11-5(4)6(7)10-9-3/h2H,1H3.
What are the key properties of 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine?
7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine has a molecular weight of 261.02 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 174263690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).