8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium

C15H25N5O — CID 151124694

IUPAC8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
SMILESC=C/[N+]([O-])=N/CCCCCCCCn1cc(C2CC2)nn1
InChIInChI=1S/C15H25N5O/c1-2-20(21)16-11-7-5-3-4-6-8-12-19-13-15(17-18-19)14-9-10-14/h2,13-14H,1,3-12H2/b20-16-
InChIKeyMSXZYZRZYVIARV-SILNSSARSA-N
MW291.40 g/mol
LogP3.60
Rot. Bonds11

About 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium

8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium (PubChem CID 151124694) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium.

Molecular Properties

Compound Name8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
PubChem CID151124694
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
SMILESC=C/[N+]([O-])=N/CCCCCCCCn1cc(C2CC2)nn1
InChIInChI=1S/C15H25N5O/c1-2-20(21)16-11-7-5-3-4-6-8-12-19-13-15(17-18-19)14-9-10-14/h2,13-14H,1,3-12H2/b20-16-
InChIKeyMSXZYZRZYVIARV-SILNSSARSA-N
XLogP3.60
TPSA69.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium?
The IUPAC name of 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium (CID 151124694) is 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium.
What is the SMILES notation for 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium?
The canonical SMILES for 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium is C=C/[N+]([O-])=N/CCCCCCCCn1cc(C2CC2)nn1.
What is the InChIKey of 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium?
The InChIKey is MSXZYZRZYVIARV-SILNSSARSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-20(21)16-11-7-5-3-4-6-8-12-19-13-15(17-18-19)14-9-10-14/h2,13-14H,1,3-12H2/b20-16-.
What are the key properties of 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium?
8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium has a molecular weight of 291.40 g/mol, XLogP of 3.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium is sourced from PubChem (CID 151124694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).