[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

C12H11FN6O — CID 107662924

IUPAC[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCc1cccc(Oc2nc(NN)nc3[nH]ncc23)c1F
InChIInChI=1S/C12H11FN6O/c1-6-3-2-4-8(9(6)13)20-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyMMIQYRMTRLRGPU-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.88
Rot. Bonds3

About [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (PubChem CID 107662924) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
PubChem CID107662924
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCc1cccc(Oc2nc(NN)nc3[nH]ncc23)c1F
InChIInChI=1S/C12H11FN6O/c1-6-3-2-4-8(9(6)13)20-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyMMIQYRMTRLRGPU-UHFFFAOYSA-N
XLogP1.88
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
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

[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 104708879
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
[4-(4-fluoro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336384
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
[4-(2-fluoro-5-methylphenoxy)quinazolin-2-yl]hydrazine
CID 80925069
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 102989643
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
[4-(2-iodophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336234
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
3-(2-fluoro-3-methylphenoxy)quinoxalin-2-amine
CID 107662445

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The IUPAC name of [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (CID 107662924) is [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.
What is the SMILES notation for [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The canonical SMILES for [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is Cc1cccc(Oc2nc(NN)nc3[nH]ncc23)c1F.
What is the InChIKey of [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The InChIKey is MMIQYRMTRLRGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-6-3-2-4-8(9(6)13)20-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine has a molecular weight of 274.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is sourced from PubChem (CID 107662924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).