2-pentylbenzotriazole

C11H15N3 — CID 5244322

IUPAC2-pentylbenzotriazole
SMILESCCCCCn1nc2ccccc2n1
InChIInChI=1S/C11H15N3/c1-2-3-6-9-14-12-10-7-4-5-8-11(10)13-14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyOEKWDISYXLIKNP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.62
Rot. Bonds4

About 2-pentylbenzotriazole

2-pentylbenzotriazole (PubChem CID 5244322) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pentylbenzotriazole.

Molecular Properties

Compound Name2-pentylbenzotriazole
PubChem CID5244322
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pentylbenzotriazole
SMILESCCCCCn1nc2ccccc2n1
InChIInChI=1S/C11H15N3/c1-2-3-6-9-14-12-10-7-4-5-8-11(10)13-14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyOEKWDISYXLIKNP-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.62
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

1H-Benzotriazole
CID 7220
1-Hydroxybenzotriazole
CID 75771
1-Methylbenzotriazole
CID 25902
1-Aminobenzotriazole
CID 1367
2,1,3-Benzothiadiazole
CID 67502
sodium 1H-benzotriazolide
CID 3517935
2H-1,2,3-Benzotriazol-2-Ylacetic Acid
CID 645549
1-Chlorobenzotriazole
CID 88761
2H-1,2,3-Benzotriazol-2-amine
CID 295514
1-Hydroxybenzotriazole hydrate
CID 2796029
1-Ethylbenzotriazole
CID 27939
Piaselenole
CID 67503

Frequently Asked Questions

What is the IUPAC name of 2-pentylbenzotriazole?
The IUPAC name of 2-pentylbenzotriazole (CID 5244322) is 2-pentylbenzotriazole.
What is the SMILES notation for 2-pentylbenzotriazole?
The canonical SMILES for 2-pentylbenzotriazole is CCCCCn1nc2ccccc2n1.
What is the InChIKey of 2-pentylbenzotriazole?
The InChIKey is OEKWDISYXLIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-6-9-14-12-10-7-4-5-8-11(10)13-14/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 2-pentylbenzotriazole?
2-pentylbenzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylbenzotriazole is sourced from PubChem (CID 5244322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).