[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

C12H10FN7O — CID 80909244

IUPAC[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccccc2F)nc(-n2cccn2)n1
InChIInChI=1S/C12H10FN7O/c13-8-4-1-2-5-9(8)21-12-17-10(19-14)16-11(18-12)20-7-3-6-15-20/h1-7H,14H2,(H,16,17,18,19)
InChIKeyMFYLYRRHCHQBDZ-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.27
Rot. Bonds4

About [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80909244) has the molecular formula C12H10FN7O and a molecular weight of 287.26 g/mol. Its IUPAC name is [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80909244
Molecular FormulaC12H10FN7O
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC Name[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccccc2F)nc(-n2cccn2)n1
InChIInChI=1S/C12H10FN7O/c13-8-4-1-2-5-9(8)21-12-17-10(19-14)16-11(18-12)20-7-3-6-15-20/h1-7H,14H2,(H,16,17,18,19)
InChIKeyMFYLYRRHCHQBDZ-UHFFFAOYSA-N
XLogP1.27
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.27
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

4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102988931
[4-(2-cyclopropylethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 106207854
[4-(oxolan-2-ylmethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80913159
2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62870668
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80909244) is [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Oc2ccccc2F)nc(-n2cccn2)n1.
What is the InChIKey of [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is MFYLYRRHCHQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7O/c13-8-4-1-2-5-9(8)21-12-17-10(19-14)16-11(18-12)20-7-3-6-15-20/h1-7H,14H2,(H,16,17,18,19).
What are the key properties of [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 287.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80909244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).