3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile

C13H20N8 — CID 63221848

IUPAC3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile
SMILESCCN(Cc1nc(NN)c2cnn(C)c2n1)CC(C)C#N
InChIInChI=1S/C13H20N8/c1-4-21(7-9(2)5-14)8-11-17-12(19-15)10-6-16-20(3)13(10)18-11/h6,9H,4,7-8,15H2,1-3H3,(H,17,18,19)
InChIKeyFUPKJYNDSQWNOE-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.63
Rot. Bonds6

About 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile

3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile (PubChem CID 63221848) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile
PubChem CID63221848
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile
SMILESCCN(Cc1nc(NN)c2cnn(C)c2n1)CC(C)C#N
InChIInChI=1S/C13H20N8/c1-4-21(7-9(2)5-14)8-11-17-12(19-15)10-6-16-20(3)13(10)18-11/h6,9H,4,7-8,15H2,1-3H3,(H,17,18,19)
InChIKeyFUPKJYNDSQWNOE-UHFFFAOYSA-N
XLogP0.63
TPSA108.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.63
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-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile
CID 63221163
2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
CID 63222071
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003
N'-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700678
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82007218
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157
N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221485
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
N,1-dimethyl-6-[[methyl(pentan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220534
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
CID 63221215
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile (CID 63221848) is 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile is CCN(Cc1nc(NN)c2cnn(C)c2n1)CC(C)C#N.
What is the InChIKey of 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile?
The InChIKey is FUPKJYNDSQWNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-4-21(7-9(2)5-14)8-11-17-12(19-15)10-6-16-20(3)13(10)18-11/h6,9H,4,7-8,15H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile?
3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile has a molecular weight of 288.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 63221848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).