[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine

C17H15FN6 — CID 6401717

IUPAC[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine
SMILESNNc1nnc2c3cc(F)ccc3n(CCc3ccccc3)c2n1
InChIInChI=1S/C17H15FN6/c18-12-6-7-14-13(10-12)15-16(20-17(21-19)23-22-15)24(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2,(H,20,21,23)
InChIKeyHHZKRGCZJOURAP-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.65
Rot. Bonds4

About [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine

[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine (PubChem CID 6401717) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine.

Molecular Properties

Compound Name[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine
PubChem CID6401717
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine
SMILESNNc1nnc2c3cc(F)ccc3n(CCc3ccccc3)c2n1
InChIInChI=1S/C17H15FN6/c18-12-6-7-14-13(10-12)15-16(20-17(21-19)23-22-15)24(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2,(H,20,21,23)
InChIKeyHHZKRGCZJOURAP-UHFFFAOYSA-N
XLogP2.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine?
The IUPAC name of [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine (CID 6401717) is [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine.
What is the SMILES notation for [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine?
The canonical SMILES for [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine is NNc1nnc2c3cc(F)ccc3n(CCc3ccccc3)c2n1.
What is the InChIKey of [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine?
The InChIKey is HHZKRGCZJOURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c18-12-6-7-14-13(10-12)15-16(20-17(21-19)23-22-15)24(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2,(H,20,21,23).
What are the key properties of [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine?
[8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine has a molecular weight of 322.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-fluoro-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazine is sourced from PubChem (CID 6401717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).