(3E,5Z)-4-azidohepta-3,5-dien-2-amine

C7H12N4 — CID 90222170

IUPAC(3E,5Z)-4-azidohepta-3,5-dien-2-amine
SMILESC/C=C\C(=C/C(C)N)N=[N+]=[N-]
InChIInChI=1S/C7H12N4/c1-3-4-7(10-11-9)5-6(2)8/h3-6H,8H2,1-2H3/b4-3-,7-5+
InChIKeyXYULPXLPKGEUKO-QVXLNCAUSA-N
MW152.20 g/mol
LogP2.10
Rot. Bonds3

About (3E,5Z)-4-azidohepta-3,5-dien-2-amine

(3E,5Z)-4-azidohepta-3,5-dien-2-amine (PubChem CID 90222170) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (3E,5Z)-4-azidohepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-azidohepta-3,5-dien-2-amine
PubChem CID90222170
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(3E,5Z)-4-azidohepta-3,5-dien-2-amine
SMILESC/C=C\C(=C/C(C)N)N=[N+]=[N-]
InChIInChI=1S/C7H12N4/c1-3-4-7(10-11-9)5-6(2)8/h3-6H,8H2,1-2H3/b4-3-,7-5+
InChIKeyXYULPXLPKGEUKO-QVXLNCAUSA-N
XLogP2.10
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-azidohepta-3,5-dien-2-amine?
The IUPAC name of (3E,5Z)-4-azidohepta-3,5-dien-2-amine (CID 90222170) is (3E,5Z)-4-azidohepta-3,5-dien-2-amine.
What is the SMILES notation for (3E,5Z)-4-azidohepta-3,5-dien-2-amine?
The canonical SMILES for (3E,5Z)-4-azidohepta-3,5-dien-2-amine is C/C=C\C(=C/C(C)N)N=[N+]=[N-].
What is the InChIKey of (3E,5Z)-4-azidohepta-3,5-dien-2-amine?
The InChIKey is XYULPXLPKGEUKO-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-4-7(10-11-9)5-6(2)8/h3-6H,8H2,1-2H3/b4-3-,7-5+.
What are the key properties of (3E,5Z)-4-azidohepta-3,5-dien-2-amine?
(3E,5Z)-4-azidohepta-3,5-dien-2-amine has a molecular weight of 152.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-azidohepta-3,5-dien-2-amine is sourced from PubChem (CID 90222170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).