(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine

C6H11N3 — CID 130183716

IUPAC(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/NN)C(=C)N
InChIInChI=1S/C6H11N3/c1-3-4-6(9-8)5(2)7/h3-4,9H,1-2,7-8H2/b6-4+
InChIKeyPTRXIBVQXCNRHQ-GQCTYLIASA-N
MW125.17 g/mol
LogP-0.01
Rot. Bonds3

About (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine

(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine (PubChem CID 130183716) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine
PubChem CID130183716
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/NN)C(=C)N
InChIInChI=1S/C6H11N3/c1-3-4-6(9-8)5(2)7/h3-4,9H,1-2,7-8H2/b6-4+
InChIKeyPTRXIBVQXCNRHQ-GQCTYLIASA-N
XLogP-0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine (CID 130183716) is (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine is C=C/C=C(/NN)C(=C)N.
What is the InChIKey of (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine?
The InChIKey is PTRXIBVQXCNRHQ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-6(9-8)5(2)7/h3-4,9H,1-2,7-8H2/b6-4+.
What are the key properties of (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine?
(3E)-3-hydrazinylhexa-1,3,5-trien-2-amine has a molecular weight of 125.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydrazinylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 130183716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).