5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one

C13H13N5O — CID 6401786

IUPAC5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one
SMILESC=CCn1c(=O)n(CC=C)c2cc3n[nH]nc3cc21
InChIInChI=1S/C13H13N5O/c1-3-5-17-11-7-9-10(15-16-14-9)8-12(11)18(6-4-2)13(17)19/h3-4,7-8H,1-2,5-6H2,(H,14,15,16)
InChIKeyUOYYTMZPIQVOGC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.45
Rot. Bonds4

About 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one

5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one (PubChem CID 6401786) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one.

Molecular Properties

Compound Name5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one
PubChem CID6401786
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one
SMILESC=CCn1c(=O)n(CC=C)c2cc3n[nH]nc3cc21
InChIInChI=1S/C13H13N5O/c1-3-5-17-11-7-9-10(15-16-14-9)8-12(11)18(6-4-2)13(17)19/h3-4,7-8H,1-2,5-6H2,(H,14,15,16)
InChIKeyUOYYTMZPIQVOGC-UHFFFAOYSA-N
XLogP1.45
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one?
The IUPAC name of 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one (CID 6401786) is 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one.
What is the SMILES notation for 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one?
The canonical SMILES for 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one is C=CCn1c(=O)n(CC=C)c2cc3n[nH]nc3cc21.
What is the InChIKey of 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one?
The InChIKey is UOYYTMZPIQVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-5-17-11-7-9-10(15-16-14-9)8-12(11)18(6-4-2)13(17)19/h3-4,7-8H,1-2,5-6H2,(H,14,15,16).
What are the key properties of 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one?
5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one has a molecular weight of 255.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(prop-2-enyl)-2H-imidazo[4,5-f]benzotriazol-6-one is sourced from PubChem (CID 6401786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).