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

C6H10N2O — CID 89091612

IUPAC(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(N)\C=C/N
InChIInChI=1S/C6H10N2O/c1-2-6(9)5(8)3-4-7/h2-4,9H,1,7-8H2/b4-3-,6-5-
InChIKeyHBFJOWZPQAEFNW-OUPQRBNQSA-N
MW126.16 g/mol
LogP0.37
Rot. Bonds2

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

(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol (PubChem CID 89091612) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol
PubChem CID89091612
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(N)\C=C/N
InChIInChI=1S/C6H10N2O/c1-2-6(9)5(8)3-4-7/h2-4,9H,1,7-8H2/b4-3-,6-5-
InChIKeyHBFJOWZPQAEFNW-OUPQRBNQSA-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'}

Analyze (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol?
The IUPAC name of (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol (CID 89091612) is (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol?
The canonical SMILES for (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol is C=C/C(O)=C(N)\C=C/N.
What is the InChIKey of (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol?
The InChIKey is HBFJOWZPQAEFNW-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-6(9)5(8)3-4-7/h2-4,9H,1,7-8H2/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol?
(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-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,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol is sourced from PubChem (CID 89091612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).