(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane

C8H9IN4 — CID 148787095

IUPAC(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
SMILESC=Ic1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H9IN4/c1-5-6-4-10-8(9-2)11-7(6)13(3)12-5/h4H,2H2,1,3H3
InChIKeyOLLHKMWQUDASAY-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.24
Rot. Bonds1

About (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane

(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane (PubChem CID 148787095) has the molecular formula C8H9IN4 and a molecular weight of 288.09 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
PubChem CID148787095
Molecular FormulaC8H9IN4
Molecular Weight288.09 g/mol
Exact Mass287.99
IUPAC Name(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
SMILESC=Ic1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H9IN4/c1-5-6-4-10-8(9-2)11-7(6)13(3)12-5/h4H,2H2,1,3H3
InChIKeyOLLHKMWQUDASAY-UHFFFAOYSA-N
XLogP1.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.24
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

1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
CID 58861824
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 177008769
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)hydrazine
CID 55282105
1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
CID 137300644
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
1,3,5-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 125424717
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
1-cyclohexyl-3-methyl-6-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
CID 54236177
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
N'-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 91486543
1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 115595676

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane?
The IUPAC name of (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane (CID 148787095) is (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane.
What is the SMILES notation for (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane?
The canonical SMILES for (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane is C=Ic1ncc2c(C)nn(C)c2n1.
What is the InChIKey of (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane?
The InChIKey is OLLHKMWQUDASAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4/c1-5-6-4-10-8(9-2)11-7(6)13(3)12-5/h4H,2H2,1,3H3.
What are the key properties of (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane?
(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane has a molecular weight of 288.09 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane is sourced from PubChem (CID 148787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).