1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol

C15H18N6O4 — CID 6800682

IUPAC1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol
SMILESCC(O)C(O)C(O)C(O)C=NNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C15H18N6O4/c1-7(22)12(24)13(25)10(23)6-16-20-15-18-14-11(19-21-15)8-4-2-3-5-9(8)17-14/h2-7,10,12-13,22-25H,1H3,(H2,17,18,20,21)
InChIKeySDXPXIQZDZNXLO-UHFFFAOYSA-N
MW346.35 g/mol
LogP-0.63
Rot. Bonds6

About 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol

1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol (PubChem CID 6800682) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol
PubChem CID6800682
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol
SMILESCC(O)C(O)C(O)C(O)C=NNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C15H18N6O4/c1-7(22)12(24)13(25)10(23)6-16-20-15-18-14-11(19-21-15)8-4-2-3-5-9(8)17-14/h2-7,10,12-13,22-25H,1H3,(H2,17,18,20,21)
InChIKeySDXPXIQZDZNXLO-UHFFFAOYSA-N
XLogP-0.63
TPSA159.77 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol?
The IUPAC name of 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol (CID 6800682) is 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol.
What is the SMILES notation for 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol?
The canonical SMILES for 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol is CC(O)C(O)C(O)C(O)C=NNc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol?
The InChIKey is SDXPXIQZDZNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-7(22)12(24)13(25)10(23)6-16-20-15-18-14-11(19-21-15)8-4-2-3-5-9(8)17-14/h2-7,10,12-13,22-25H,1H3,(H2,17,18,20,21).
What are the key properties of 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol?
1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol has a molecular weight of 346.35 g/mol, XLogP of -0.63, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol is sourced from PubChem (CID 6800682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).