(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol

C6H10N2O — CID 121443544

IUPAC(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol
SMILESN/C=C/C(N)=C\C=C\O
InChIInChI=1S/C6H10N2O/c7-4-3-6(8)2-1-5-9/h1-5,9H,7-8H2/b4-3+,5-1+,6-2+
InChIKeyWQACXYJIJSEYAM-RLPQXWSLSA-N
MW126.16 g/mol
LogP0.37
Rot. Bonds2

About (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol

(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol (PubChem CID 121443544) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol
PubChem CID121443544
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol
SMILESN/C=C/C(N)=C\C=C\O
InChIInChI=1S/C6H10N2O/c7-4-3-6(8)2-1-5-9/h1-5,9H,7-8H2/b4-3+,5-1+,6-2+
InChIKeyWQACXYJIJSEYAM-RLPQXWSLSA-N
XLogP0.37
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol (CID 121443544) is (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol is N/C=C/C(N)=C\C=C\O.
What is the InChIKey of (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol?
The InChIKey is WQACXYJIJSEYAM-RLPQXWSLSA-N. The full InChI is InChI=1S/C6H10N2O/c7-4-3-6(8)2-1-5-9/h1-5,9H,7-8H2/b4-3+,5-1+,6-2+.
What are the key properties of (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol?
(1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol has a molecular weight of 126.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-4,6-diaminohexa-1,3,5-trien-1-ol is sourced from PubChem (CID 121443544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).