[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C12H18N6OS — CID 107756709

IUPAC[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCC1OCCC1SCc1nc(NN)c2cnn(C)c2n1
InChIInChI=1S/C12H18N6OS/c1-7-9(3-4-19-7)20-6-10-15-11(17-13)8-5-14-18(2)12(8)16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,15,16,17)
InChIKeyUBGILJSPQBAZFD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.06
Rot. Bonds4

About [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 107756709) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID107756709
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCC1OCCC1SCc1nc(NN)c2cnn(C)c2n1
InChIInChI=1S/C12H18N6OS/c1-7-9(3-4-19-7)20-6-10-15-11(17-13)8-5-14-18(2)12(8)16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,15,16,17)
InChIKeyUBGILJSPQBAZFD-UHFFFAOYSA-N
XLogP1.06
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003
N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 82734913
[6-(cyclopentylmethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 66322271
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63222121
[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63660317
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
CID 104680431
[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221592
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 63221684
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82007218
2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
CID 63222071

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 107756709) is [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is CC1OCCC1SCc1nc(NN)c2cnn(C)c2n1.
What is the InChIKey of [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UBGILJSPQBAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7-9(3-4-19-7)20-6-10-15-11(17-13)8-5-14-18(2)12(8)16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,15,16,17).
What are the key properties of [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107756709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).