(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol

C6H10N2O — CID 89070377

IUPAC(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(N)=C/N
InChIInChI=1S/C6H10N2O/c1-5(9)2-3-6(8)4-7/h2-4,9H,1,7-8H2/b3-2-,6-4+
InChIKeyOZWHKUZITMKXIT-MGLVMYNNSA-N
MW126.16 g/mol
LogP0.37
Rot. Bonds2

About (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol

(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol (PubChem CID 89070377) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol
PubChem CID89070377
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(N)=C/N
InChIInChI=1S/C6H10N2O/c1-5(9)2-3-6(8)4-7/h2-4,9H,1,7-8H2/b3-2-,6-4+
InChIKeyOZWHKUZITMKXIT-MGLVMYNNSA-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 (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol (CID 89070377) is (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(N)=C/N.
What is the InChIKey of (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol?
The InChIKey is OZWHKUZITMKXIT-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)2-3-6(8)4-7/h2-4,9H,1,7-8H2/b3-2-,6-4+.
What are the key properties of (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol?
(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-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 (3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 89070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).