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

C16H13FN6 — CID 6401719

IUPAC(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
SMILESNNc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H13FN6/c17-11-6-7-13-12(8-11)14-15(19-16(20-18)22-21-14)23(13)9-10-4-2-1-3-5-10/h1-8H,9,18H2,(H,19,20,22)
InChIKeyQPWQDQPRXBGKND-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.45
Rot. Bonds3

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

(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine (PubChem CID 6401719) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine.

Molecular Properties

Compound Name(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
PubChem CID6401719
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
SMILESNNc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1
InChIInChI=1S/C16H13FN6/c17-11-6-7-13-12(8-11)14-15(19-16(20-18)22-21-14)23(13)9-10-4-2-1-3-5-10/h1-8H,9,18H2,(H,19,20,22)
InChIKeyQPWQDQPRXBGKND-UHFFFAOYSA-N
XLogP2.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.45
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 (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The IUPAC name of (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine (CID 6401719) is (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine.
What is the SMILES notation for (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The canonical SMILES for (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine is NNc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1.
What is the InChIKey of (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The InChIKey is QPWQDQPRXBGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-11-6-7-13-12(8-11)14-15(19-16(20-18)22-21-14)23(13)9-10-4-2-1-3-5-10/h1-8H,9,18H2,(H,19,20,22).
What are the key properties of (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine has a molecular weight of 308.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine is sourced from PubChem (CID 6401719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).