8,9-dihydro-5H-tetrazolo[1,5-a]azepine

C6H8N4 — CID 150070545

IUPAC8,9-dihydro-5H-tetrazolo[1,5-a]azepine
SMILESC1=CCn2nnnc2CC1
InChIInChI=1S/C6H8N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1,3H,2,4-5H2
InChIKeyDPEIHGKXZPNDRY-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.18
Rot. Bonds

About 8,9-dihydro-5H-tetrazolo[1,5-a]azepine

8,9-dihydro-5H-tetrazolo[1,5-a]azepine (PubChem CID 150070545) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 8,9-dihydro-5H-tetrazolo[1,5-a]azepine.

Molecular Properties

Compound Name8,9-dihydro-5H-tetrazolo[1,5-a]azepine
PubChem CID150070545
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name8,9-dihydro-5H-tetrazolo[1,5-a]azepine
SMILESC1=CCn2nnnc2CC1
InChIInChI=1S/C6H8N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1,3H,2,4-5H2
InChIKeyDPEIHGKXZPNDRY-UHFFFAOYSA-N
XLogP0.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-but-2-enyl]-1-methyltetrazole
CID 56610541
1,5-Bis(prop-2-enyl)tetrazole
CID 66993003
10aH-tetrazolo[1,5-a][1]benzazepine
CID 87090547
5,8-Dihydrotetrazolo[1,5-a]pyridine
CID 91400686
5,6-Dihydrotetrazolo[1,5-a]pyridine
CID 91551042
5-Prop-2-enyl-1-propyltetrazole
CID 155151559
1-Cyclohex-2-en-1-yl-5-methyltetrazole
CID 126996082
1-But-3-enyl-5-methyltetrazole
CID 130637551
1-(2-Cyclobutylideneethyl)-5-ethyltetrazole
CID 130666951
1-Cyclohex-2-en-1-yl-5-ethyltetrazole
CID 131176209

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-5H-tetrazolo[1,5-a]azepine?
The IUPAC name of 8,9-dihydro-5H-tetrazolo[1,5-a]azepine (CID 150070545) is 8,9-dihydro-5H-tetrazolo[1,5-a]azepine.
What is the SMILES notation for 8,9-dihydro-5H-tetrazolo[1,5-a]azepine?
The canonical SMILES for 8,9-dihydro-5H-tetrazolo[1,5-a]azepine is C1=CCn2nnnc2CC1.
What is the InChIKey of 8,9-dihydro-5H-tetrazolo[1,5-a]azepine?
The InChIKey is DPEIHGKXZPNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1,3H,2,4-5H2.
What are the key properties of 8,9-dihydro-5H-tetrazolo[1,5-a]azepine?
8,9-dihydro-5H-tetrazolo[1,5-a]azepine has a molecular weight of 136.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-5H-tetrazolo[1,5-a]azepine is sourced from PubChem (CID 150070545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).