2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine

C10H14F3N7 — CID 63222071

IUPAC2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
SMILESCN(Cc1nc(NN)c2cnn(C)c2n1)CC(F)(F)F
InChIInChI=1S/C10H14F3N7/c1-19(5-10(11,12)13)4-7-16-8(18-14)6-3-15-20(2)9(6)17-7/h3H,4-5,14H2,1-2H3,(H,16,17,18)
InChIKeyKEKDYCWWNXOEBK-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.64
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine

2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine (PubChem CID 63222071) has the molecular formula C10H14F3N7 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
PubChem CID63222071
Molecular FormulaC10H14F3N7
Molecular Weight289.27 g/mol
Exact Mass289.13
IUPAC Name2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
SMILESCN(Cc1nc(NN)c2cnn(C)c2n1)CC(F)(F)F
InChIInChI=1S/C10H14F3N7/c1-19(5-10(11,12)13)4-7-16-8(18-14)6-3-15-20(2)9(6)17-7/h3H,4-5,14H2,1-2H3,(H,16,17,18)
InChIKeyKEKDYCWWNXOEBK-UHFFFAOYSA-N
XLogP0.64
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine (CID 63222071) is 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine is CN(Cc1nc(NN)c2cnn(C)c2n1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine?
The InChIKey is KEKDYCWWNXOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N7/c1-19(5-10(11,12)13)4-7-16-8(18-14)6-3-15-20(2)9(6)17-7/h3H,4-5,14H2,1-2H3,(H,16,17,18).
What are the key properties of 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine has a molecular weight of 289.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 63222071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).