1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol

C11H17N7O — CID 63222121

IUPAC1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
SMILESCn1ncc2c(NN)nc(CN3CCC(O)C3)nc21
InChIInChI=1S/C11H17N7O/c1-17-11-8(4-13-17)10(16-12)14-9(15-11)6-18-3-2-7(19)5-18/h4,7,19H,2-3,5-6,12H2,1H3,(H,14,15,16)
InChIKeyXRAFFYMRDZMGKD-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.78
Rot. Bonds3

About 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol

1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol (PubChem CID 63222121) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
PubChem CID63222121
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
SMILESCn1ncc2c(NN)nc(CN3CCC(O)C3)nc21
InChIInChI=1S/C11H17N7O/c1-17-11-8(4-13-17)10(16-12)14-9(15-11)6-18-3-2-7(19)5-18/h4,7,19H,2-3,5-6,12H2,1H3,(H,14,15,16)
InChIKeyXRAFFYMRDZMGKD-UHFFFAOYSA-N
XLogP-0.78
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
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

1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103538617
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
CID 114681779
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
CID 104680431
[6-(cyclopentylmethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 66322271
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 63221538
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol (CID 63222121) is 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol is Cn1ncc2c(NN)nc(CN3CCC(O)C3)nc21.
What is the InChIKey of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XRAFFYMRDZMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-17-11-8(4-13-17)10(16-12)14-9(15-11)6-18-3-2-7(19)5-18/h4,7,19H,2-3,5-6,12H2,1H3,(H,14,15,16).
What are the key properties of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol?
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol has a molecular weight of 263.30 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63222121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).