5-tert-butyl-2-methylbenzotriazole

C11H15N3 — CID 138667853

IUPAC5-tert-butyl-2-methylbenzotriazole
SMILESCn1nc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3/c1-11(2,3)8-5-6-9-10(7-8)13-14(4)12-9/h5-7H,1-4H3
InChIKeyKFPNUTCIECMTKQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds

About 5-tert-butyl-2-methylbenzotriazole

5-tert-butyl-2-methylbenzotriazole (PubChem CID 138667853) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-tert-butyl-2-methylbenzotriazole.

Molecular Properties

Compound Name5-tert-butyl-2-methylbenzotriazole
PubChem CID138667853
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-tert-butyl-2-methylbenzotriazole
SMILESCn1nc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3/c1-11(2,3)8-5-6-9-10(7-8)13-14(4)12-9/h5-7H,1-4H3
InChIKeyKFPNUTCIECMTKQ-UHFFFAOYSA-N
XLogP2.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylbenzotriazole?
The IUPAC name of 5-tert-butyl-2-methylbenzotriazole (CID 138667853) is 5-tert-butyl-2-methylbenzotriazole.
What is the SMILES notation for 5-tert-butyl-2-methylbenzotriazole?
The canonical SMILES for 5-tert-butyl-2-methylbenzotriazole is Cn1nc2ccc(C(C)(C)C)cc2n1.
What is the InChIKey of 5-tert-butyl-2-methylbenzotriazole?
The InChIKey is KFPNUTCIECMTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)8-5-6-9-10(7-8)13-14(4)12-9/h5-7H,1-4H3.
What are the key properties of 5-tert-butyl-2-methylbenzotriazole?
5-tert-butyl-2-methylbenzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylbenzotriazole is sourced from PubChem (CID 138667853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).