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

C10H11N9O2 — CID 63221765

IUPAC[1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(Cn3cnc([N+](=O)[O-])c3)nc21
InChIInChI=1S/C10H11N9O2/c1-17-10-6(2-13-17)9(16-11)14-7(15-10)3-18-4-8(12-5-18)19(20)21/h2,4-5H,3,11H2,1H3,(H,14,15,16)
InChIKeyUZYSZXPZOQIPEA-UHFFFAOYSA-N
MW289.26 g/mol
LogP-0.20
Rot. Bonds4

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

[1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 63221765) has the molecular formula C10H11N9O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID63221765
Molecular FormulaC10H11N9O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name[1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(Cn3cnc([N+](=O)[O-])c3)nc21
InChIInChI=1S/C10H11N9O2/c1-17-10-6(2-13-17)9(16-11)14-7(15-10)3-18-4-8(12-5-18)19(20)21/h2,4-5H,3,11H2,1H3,(H,14,15,16)
InChIKeyUZYSZXPZOQIPEA-UHFFFAOYSA-N
XLogP-0.20
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)methyl]-1,3-thiazolidine-2,4-dione
CID 63221538
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122
1-methyl-5-[(4-nitroimidazol-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630192
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63222121
[5-[(4-nitroimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62246722
N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700678
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
CID 104680431
5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057120
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
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 63221765) is [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cn1ncc2c(NN)nc(Cn3cnc([N+](=O)[O-])c3)nc21.
What is the InChIKey of [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UZYSZXPZOQIPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N9O2/c1-17-10-6(2-13-17)9(16-11)14-7(15-10)3-18-4-8(12-5-18)19(20)21/h2,4-5H,3,11H2,1H3,(H,14,15,16).
What are the key properties of [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 289.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-[(4-nitroimidazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63221765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).