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

C13H15FN6 — CID 6414465

IUPAC(5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
SMILESCCCCn1c2ccc(F)cc2c2nnc(NN)nc21
InChIInChI=1S/C13H15FN6/c1-2-3-6-20-10-5-4-8(14)7-9(10)11-12(20)16-13(17-15)19-18-11/h4-5,7H,2-3,6,15H2,1H3,(H,16,17,19)
InChIKeyLYIKBUAPPOPDJZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.20
Rot. Bonds4

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

(5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine (PubChem CID 6414465) has the molecular formula C13H15FN6 and a molecular weight of 274.30 g/mol. Its IUPAC name is (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine.

Molecular Properties

Compound Name(5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
PubChem CID6414465
Molecular FormulaC13H15FN6
Molecular Weight274.30 g/mol
Exact Mass274.13
IUPAC Name(5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
SMILESCCCCn1c2ccc(F)cc2c2nnc(NN)nc21
InChIInChI=1S/C13H15FN6/c1-2-3-6-20-10-5-4-8(14)7-9(10)11-12(20)16-13(17-15)19-18-11/h4-5,7H,2-3,6,15H2,1H3,(H,16,17,19)
InChIKeyLYIKBUAPPOPDJZ-UHFFFAOYSA-N
XLogP2.20
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.20
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-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The IUPAC name of (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine (CID 6414465) is (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine.
What is the SMILES notation for (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The canonical SMILES for (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine is CCCCn1c2ccc(F)cc2c2nnc(NN)nc21.
What is the InChIKey of (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
The InChIKey is LYIKBUAPPOPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6/c1-2-3-6-20-10-5-4-8(14)7-9(10)11-12(20)16-13(17-15)19-18-11/h4-5,7H,2-3,6,15H2,1H3,(H,16,17,19).
What are the key properties of (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine?
(5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine has a molecular weight of 274.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine is sourced from PubChem (CID 6414465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).