5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene

C13H19N3 — CID 157443073

IUPAC5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene
SMILESC=C.Cc1cc2nn(C(C)C)nc2cc1C
InChIInChI=1S/C11H15N3.C2H4/c1-7(2)14-12-10-5-8(3)9(4)6-11(10)13-14;1-2/h5-7H,1-4H3;1-2H2
InChIKeyBRXAKXODEFMEAA-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.43
Rot. Bonds1

About 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene

5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene (PubChem CID 157443073) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene.

Molecular Properties

Compound Name5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene
PubChem CID157443073
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene
SMILESC=C.Cc1cc2nn(C(C)C)nc2cc1C
InChIInChI=1S/C11H15N3.C2H4/c1-7(2)14-12-10-5-8(3)9(4)6-11(10)13-14;1-2/h5-7H,1-4H3;1-2H2
InChIKeyBRXAKXODEFMEAA-UHFFFAOYSA-N
XLogP3.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene?
The IUPAC name of 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene (CID 157443073) is 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene.
What is the SMILES notation for 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene?
The canonical SMILES for 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene is C=C.Cc1cc2nn(C(C)C)nc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene?
The InChIKey is BRXAKXODEFMEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C2H4/c1-7(2)14-12-10-5-8(3)9(4)6-11(10)13-14;1-2/h5-7H,1-4H3;1-2H2.
What are the key properties of 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene?
5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene has a molecular weight of 217.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene is sourced from PubChem (CID 157443073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).