5,6-dimethyl-1-propan-2-ylbenzotriazole

C11H15N3 — CID 59167826

IUPAC5,6-dimethyl-1-propan-2-ylbenzotriazole
SMILESCc1cc2nnn(C(C)C)c2cc1C
InChIInChI=1S/C11H15N3/c1-7(2)14-11-6-9(4)8(3)5-10(11)12-13-14/h5-7H,1-4H3
InChIKeyQSSHZULKKNNKNP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds1

About 5,6-dimethyl-1-propan-2-ylbenzotriazole

5,6-dimethyl-1-propan-2-ylbenzotriazole (PubChem CID 59167826) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5,6-dimethyl-1-propan-2-ylbenzotriazole.

Molecular Properties

Compound Name5,6-dimethyl-1-propan-2-ylbenzotriazole
PubChem CID59167826
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5,6-dimethyl-1-propan-2-ylbenzotriazole
SMILESCc1cc2nnn(C(C)C)c2cc1C
InChIInChI=1S/C11H15N3/c1-7(2)14-11-6-9(4)8(3)5-10(11)12-13-14/h5-7H,1-4H3
InChIKeyQSSHZULKKNNKNP-UHFFFAOYSA-N
XLogP2.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propan-2-ylbenzotriazole?
The IUPAC name of 5,6-dimethyl-1-propan-2-ylbenzotriazole (CID 59167826) is 5,6-dimethyl-1-propan-2-ylbenzotriazole.
What is the SMILES notation for 5,6-dimethyl-1-propan-2-ylbenzotriazole?
The canonical SMILES for 5,6-dimethyl-1-propan-2-ylbenzotriazole is Cc1cc2nnn(C(C)C)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-propan-2-ylbenzotriazole?
The InChIKey is QSSHZULKKNNKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7(2)14-11-6-9(4)8(3)5-10(11)12-13-14/h5-7H,1-4H3.
What are the key properties of 5,6-dimethyl-1-propan-2-ylbenzotriazole?
5,6-dimethyl-1-propan-2-ylbenzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propan-2-ylbenzotriazole is sourced from PubChem (CID 59167826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).