4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide

C10H14N6O — CID 135459437

IUPAC4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESC=CCN(CC=C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C10H14N6O/c1-3-5-16(6-4-2)15-14-10-8(9(11)17)12-7-13-10/h3-4,7H,1-2,5-6H2,(H2,11,17)(H,12,13)/b15-14+
InChIKeyIPHZJMAEBGGXBQ-CCEZHUSRSA-N
MW234.26 g/mol
LogP1.18
Rot. Bonds7

About 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide

4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135459437) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
PubChem CID135459437
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESC=CCN(CC=C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C10H14N6O/c1-3-5-16(6-4-2)15-14-10-8(9(11)17)12-7-13-10/h3-4,7H,1-2,5-6H2,(H2,11,17)(H,12,13)/b15-14+
InChIKeyIPHZJMAEBGGXBQ-CCEZHUSRSA-N
XLogP1.18
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide (CID 135459437) is 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide is C=CCN(CC=C)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is IPHZJMAEBGGXBQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-5-16(6-4-2)15-14-10-8(9(11)17)12-7-13-10/h3-4,7H,1-2,5-6H2,(H2,11,17)(H,12,13)/b15-14+.
What are the key properties of 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135459437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).