5,5-dimethyltetrazolo[1,5-a]azepine

C8H10N4 — CID 164876361

IUPAC5,5-dimethyltetrazolo[1,5-a]azepine
SMILESCC1(C)C=CC=Cc2nnnn21
InChIInChI=1S/C8H10N4/c1-8(2)6-4-3-5-7-9-10-11-12(7)8/h3-6H,1-2H3
InChIKeyATBACGADIRTGAO-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.99
Rot. Bonds

About 5,5-dimethyltetrazolo[1,5-a]azepine

5,5-dimethyltetrazolo[1,5-a]azepine (PubChem CID 164876361) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5,5-dimethyltetrazolo[1,5-a]azepine.

Molecular Properties

Compound Name5,5-dimethyltetrazolo[1,5-a]azepine
PubChem CID164876361
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5,5-dimethyltetrazolo[1,5-a]azepine
SMILESCC1(C)C=CC=Cc2nnnn21
InChIInChI=1S/C8H10N4/c1-8(2)6-4-3-5-7-9-10-11-12(7)8/h3-6H,1-2H3
InChIKeyATBACGADIRTGAO-UHFFFAOYSA-N
XLogP0.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyltetrazolo[1,5-a]azepine?
The IUPAC name of 5,5-dimethyltetrazolo[1,5-a]azepine (CID 164876361) is 5,5-dimethyltetrazolo[1,5-a]azepine.
What is the SMILES notation for 5,5-dimethyltetrazolo[1,5-a]azepine?
The canonical SMILES for 5,5-dimethyltetrazolo[1,5-a]azepine is CC1(C)C=CC=Cc2nnnn21.
What is the InChIKey of 5,5-dimethyltetrazolo[1,5-a]azepine?
The InChIKey is ATBACGADIRTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-8(2)6-4-3-5-7-9-10-11-12(7)8/h3-6H,1-2H3.
What are the key properties of 5,5-dimethyltetrazolo[1,5-a]azepine?
5,5-dimethyltetrazolo[1,5-a]azepine has a molecular weight of 162.20 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyltetrazolo[1,5-a]azepine is sourced from PubChem (CID 164876361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).