7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C11H16N2 — CID 142062947

IUPAC7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1c2ccccc2n1C(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)13-10-8-6-5-7-9(10)12(13)4/h5-8H,1-4H3
InChIKeyIAEDZWWTJGKQGO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.73
Rot. Bonds

About 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 142062947) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID142062947
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCn1c2ccccc2n1C(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)13-10-8-6-5-7-9(10)12(13)4/h5-8H,1-4H3
InChIKeyIAEDZWWTJGKQGO-UHFFFAOYSA-N
XLogP2.73
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Benzotriazolium, 1,2-dimethyl-, iodide
CID 60320
1-Hexylbenzotriazole
CID 4202453
1-Heptyl-1H-1,2,3-benzotriazole
CID 4359223
1-(2-Methyl-allyl)-1H-benzotriazole
CID 853613
1,2-Dimethyl-1H-benzotriazolium
CID 60321
1-[(E)-hept-4-en-3-yl]benzotriazole
CID 56653865
1,3-Dibutyl-1h-benzo[d][1,2,3]-triazol-3-ium bromide
CID 15639330
7,9-Diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 23512794
1-Ethyl-3-butylbenzotriazolium bromide
CID 134716216
1,2-Dimethylbenzotriazolium chloride
CID 16206528
3-Fluoro-8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143111931
3-Fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143654551

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 142062947) is 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is Cn1c2ccccc2n1C(C)(C)C.
What is the InChIKey of 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is IAEDZWWTJGKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)13-10-8-6-5-7-9(10)12(13)4/h5-8H,1-4H3.
What are the key properties of 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 176.26 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 142062947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).