2-butylbenzotriazole

C10H13N3 — CID 3343351

IUPAC2-butylbenzotriazole
SMILESCCCCn1nc2ccccc2n1
InChIInChI=1S/C10H13N3/c1-2-3-8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,2-3,8H2,1H3
InChIKeyDRFDQBZSCVSFKT-UHFFFAOYSA-N
MW175.24 g/mol
LogP2.23
Rot. Bonds3

About 2-butylbenzotriazole

2-butylbenzotriazole (PubChem CID 3343351) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-butylbenzotriazole.

Molecular Properties

Compound Name2-butylbenzotriazole
PubChem CID3343351
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-butylbenzotriazole
SMILESCCCCn1nc2ccccc2n1
InChIInChI=1S/C10H13N3/c1-2-3-8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,2-3,8H2,1H3
InChIKeyDRFDQBZSCVSFKT-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylbenzotriazole?
The IUPAC name of 2-butylbenzotriazole (CID 3343351) is 2-butylbenzotriazole.
What is the SMILES notation for 2-butylbenzotriazole?
The canonical SMILES for 2-butylbenzotriazole is CCCCn1nc2ccccc2n1.
What is the InChIKey of 2-butylbenzotriazole?
The InChIKey is DRFDQBZSCVSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-3-8-13-11-9-6-4-5-7-10(9)12-13/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-butylbenzotriazole?
2-butylbenzotriazole has a molecular weight of 175.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylbenzotriazole is sourced from PubChem (CID 3343351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).