1-[(Z)-hex-1-enyl]benzotriazole

C12H15N3 — CID 134912487

IUPAC1-[(Z)-hex-1-enyl]benzotriazole
SMILESCCCC/C=C\n1nnc2ccccc21
InChIInChI=1S/C12H15N3/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)13-14-15/h5-10H,2-4H2,1H3/b10-7-
InChIKeyGUBXGWJOAUXVIQ-YFHOEESVSA-N
MW201.27 g/mol
LogP3.09
Rot. Bonds4

About 1-[(Z)-hex-1-enyl]benzotriazole

1-[(Z)-hex-1-enyl]benzotriazole (PubChem CID 134912487) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(Z)-hex-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(Z)-hex-1-enyl]benzotriazole
PubChem CID134912487
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-[(Z)-hex-1-enyl]benzotriazole
SMILESCCCC/C=C\n1nnc2ccccc21
InChIInChI=1S/C12H15N3/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)13-14-15/h5-10H,2-4H2,1H3/b10-7-
InChIKeyGUBXGWJOAUXVIQ-YFHOEESVSA-N
XLogP3.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylbenzotriazole
CID 25902
1H-Benzotriazole-1-propanoic acid
CID 563218
1H-Benzotriazol-1-ylacetic acid
CID 313450
1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
3-(1H-1,2,3-benzotriazol-1-yl)-2-methylpropanoic acid
CID 2913712
N-Acetylbenzotriazole
CID 87784
1H-Benzotriazole-1-methanol
CID 224169
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-1-enyl]benzotriazole?
The IUPAC name of 1-[(Z)-hex-1-enyl]benzotriazole (CID 134912487) is 1-[(Z)-hex-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(Z)-hex-1-enyl]benzotriazole?
The canonical SMILES for 1-[(Z)-hex-1-enyl]benzotriazole is CCCC/C=C\n1nnc2ccccc21.
What is the InChIKey of 1-[(Z)-hex-1-enyl]benzotriazole?
The InChIKey is GUBXGWJOAUXVIQ-YFHOEESVSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)13-14-15/h5-10H,2-4H2,1H3/b10-7-.
What are the key properties of 1-[(Z)-hex-1-enyl]benzotriazole?
1-[(Z)-hex-1-enyl]benzotriazole has a molecular weight of 201.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-1-enyl]benzotriazole is sourced from PubChem (CID 134912487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).