2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole

C16H14N6 — CID 139251484

IUPAC2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
SMILESC(=C\Cn1nc2ccccc2n1)\Cn1nc2ccccc2n1
InChIInChI=1S/C16H14N6/c1-2-8-14-13(7-1)17-21(18-14)11-5-6-12-22-19-15-9-3-4-10-16(15)20-22/h1-10H,11-12H2/b6-5-
InChIKeyZKMOZZJBMSYYNL-WAYWQWQTSA-N
MW290.33 g/mol
LogP2.43
Rot. Bonds4

About 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole

2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole (PubChem CID 139251484) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole.

Molecular Properties

Compound Name2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
PubChem CID139251484
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
SMILESC(=C\Cn1nc2ccccc2n1)\Cn1nc2ccccc2n1
InChIInChI=1S/C16H14N6/c1-2-8-14-13(7-1)17-21(18-14)11-5-6-12-22-19-15-9-3-4-10-16(15)20-22/h1-10H,11-12H2/b6-5-
InChIKeyZKMOZZJBMSYYNL-WAYWQWQTSA-N
XLogP2.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-2-yl)ethanamine
CID 10487202
2-(benzotriazol-2-yl)acetonitrile
CID 640743
3-(benzotriazol-2-yl)propanenitrile
CID 11355758
1-(benzotriazol-2-yl)propan-2-ol
CID 130122320
2-iodobenzotriazole
CID 121405033
benzotriazol-2-ylalumane
CID 154405892
2-[2-(4-chlorophenyl)ethyl]benzotriazole
CID 134867987
2-(benzotriazol-2-yldisulfanyl)benzotriazole
CID 118249510
1-[(E)-3-chloroprop-2-enyl]benzotriazole
CID 6037442
5-chloro-2-prop-2-enylbenzotriazole
CID 59327608
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]benzotriazole
CID 86171570

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole?
The IUPAC name of 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole (CID 139251484) is 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole.
What is the SMILES notation for 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole?
The canonical SMILES for 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole is C(=C\Cn1nc2ccccc2n1)\Cn1nc2ccccc2n1.
What is the InChIKey of 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole?
The InChIKey is ZKMOZZJBMSYYNL-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H14N6/c1-2-8-14-13(7-1)17-21(18-14)11-5-6-12-22-19-15-9-3-4-10-16(15)20-22/h1-10H,11-12H2/b6-5-.
What are the key properties of 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole?
2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole has a molecular weight of 290.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole is sourced from PubChem (CID 139251484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).