[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C12H9F3N6 — CID 8009255

IUPAC[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)11-18-9(20-16)8-6-17-21(10(8)19-11)7-4-2-1-3-5-7/h1-6H,16H2,(H,18,19,20)
InChIKeyOKLXJWGOOVRNCU-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.12
Rot. Bonds2

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

[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 8009255) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID8009255
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)11-18-9(20-16)8-6-17-21(10(8)19-11)7-4-2-1-3-5-7/h1-6H,16H2,(H,18,19,20)
InChIKeyOKLXJWGOOVRNCU-UHFFFAOYSA-N
XLogP2.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 11232823
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 8009264
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 11840819
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
1-phenyl-N-[[2-(trifluoromethyl)oxiran-2-yl]methyl]indazol-4-amine
CID 24938053

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 8009255) is [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1.
What is the InChIKey of [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is OKLXJWGOOVRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)11-18-9(20-16)8-6-17-21(10(8)19-11)7-4-2-1-3-5-7/h1-6H,16H2,(H,18,19,20).
What are the key properties of [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 8009255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).