6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

C6H10N4 — CID 5917

💊View drug profile → pentetrazol
IUPAC6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESC1CCc2nnnn2CC1
InChIInChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKeyCWRVKFFCRWGWCS-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.40
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (PubChem CID 5917) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
PubChem CID5917
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESC1CCc2nnnn2CC1
InChIInChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKeyCWRVKFFCRWGWCS-UHFFFAOYSA-N
XLogP0.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5H,6H,7H,8H,9H-(1,2,3,4)tetrazolo(1,5-a)azepin-7-amine hydrochloride
CID 121553615
6,6,8,8-tetrafluoro-7,9-dihydro-5H-tetrazolo[1,5-a]azepine
CID 71023109
7,7-Difluoro-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
CID 71467862
7-fluoro-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
CID 71467863
5,9-difluoro-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
CID 71467956
6,6,7,7-tetrafluoro-8,9-dihydro-5H-tetrazolo[1,5-a]azepine
CID 89197472
8,8,9,9-tetrafluoro-6,7-dihydro-5H-tetrazolo[1,5-a]azepine
CID 89197479
6,6,8,8,9,9-Hexafluoro-5,7-dihydrotetrazolo[1,5-a]azepine
CID 117711189
7,7,9,9-tetrafluoro-6,8-dihydro-5H-tetrazolo[1,5-a]azepine
CID 117711190
6,6,9,9-tetrafluoro-7,8-dihydro-5H-tetrazolo[1,5-a]azepine
CID 117711191
6,6,7,7,8,8,9,9-octafluoro-5H-tetrazolo[1,5-a]azepine
CID 117711204
7,7,8,8,9,9-Hexafluoro-5,6-dihydrotetrazolo[1,5-a]azepine
CID 117711205

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (CID 5917) is 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is C1CCc2nnnn2CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The InChIKey is CWRVKFFCRWGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine has a molecular weight of 138.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is sourced from PubChem (CID 5917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).