(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate

C8H10IN3O3 — CID 166604211

IUPAC(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O3/c1-11(2)8(14)15-5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3
InChIKeyIBYQABACIDOVDU-UHFFFAOYSA-N
MW323.09 g/mol
LogP0.50
Rot. Bonds2

About (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate

(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate (PubChem CID 166604211) has the molecular formula C8H10IN3O3 and a molecular weight of 323.09 g/mol. Its IUPAC name is (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate
PubChem CID166604211
Molecular FormulaC8H10IN3O3
Molecular Weight323.09 g/mol
Exact Mass322.98
IUPAC Name(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCn1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O3/c1-11(2)8(14)15-5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3
InChIKeyIBYQABACIDOVDU-UHFFFAOYSA-N
XLogP0.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
Methyl 3-(4-iodo-6-oxopyridazin-1(6H)-yl)propanoate
CID 71418085
5-Iodo-2-(methoxymethyl)pyridazin-3-one
CID 91619911
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
2-(Ethoxymethyl)-5-iodopyridazin-3-one
CID 114553389
5-Iodo-2-(3-methoxypropyl)pyridazin-3-one
CID 114553658
5-Iodo-2-(propan-2-yloxymethyl)pyridazin-3-one
CID 130551548
5-Iodo-2-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-one
CID 130564369
Tert-butyl (4-iodo-6-oxopyridazin-1-yl)methyl carbonate
CID 166604195
(4-Iodo-6-oxopyridazin-1-yl)methyl methyl carbonate
CID 166604197
(4-Iodo-6-oxopyridazin-1-yl)methyl 2,2-dimethylpropanoate
CID 166604210

Frequently Asked Questions

What is the IUPAC name of (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate (CID 166604211) is (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCn1ncc(I)cc1=O.
What is the InChIKey of (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate?
The InChIKey is IBYQABACIDOVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O3/c1-11(2)8(14)15-5-12-7(13)3-6(9)4-10-12/h3-4H,5H2,1-2H3.
What are the key properties of (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate?
(4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate has a molecular weight of 323.09 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-6-oxopyridazin-1-yl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 166604211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).