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Pentylenetetrazole
CAS: 54-95-5 | C6H10N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54-95-5
Molecular Formula:
C6H10N4
Molecular Mass:
138.17 g/mol
Names and Synonyms:
Pentylenetetrazole
5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-
6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine
Cardiazol
Cardiazole
Cenazol
Cerebro-nicin
Coranormol
Corasol
Corazol
Corazole
Cortis
Delzol W
Deumacard
Gewazol
Leptazol
Metrazol
Metrazole
Pentamethylenetetrazole
1,5-Pentamethylenetetrazole
Pentetrazol
Pentetrazole
Pentrazol
Pentrolone
Pentylenetetrazol
Pentylenetetrazole
Phrenazol
PTZ
Tetracor
6,7,8,9-Tetrahydro-5H-tetrazoloazepine
7,8,9,10-Tetrazabicyclo[5.3.0]-8,10-decadiene
1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene
Ventrazol
Corazole (analeptic)
Tetrazole, (1,5-pentanediyl)-
α,β-Cyclopentamethylenetetrazole
Cenalene M
Corvasol
Korazole
Corsedrol
Korazol
Leptazole
Tetrazol
Angiazol
Pentazol
Cardiol
Yetrazol
Corisan
Pentrozol
Coranormal
NSC 5729
NSC 66489
Pentavet
Identifiers:
SMILES:
C1CCc2nnnn2CC1
InChI:
InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
Key Properties
Boiling Point
140 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
59.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.174 g/mol | RDKit | |
| 138.09054632 g/mol | RDKit | |
| Boiling Point | 140 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1N=C2N(N1)CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWRVKFFCRWGWCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59.5 °C | CAS Common Chemistry |
| Name | Pentylenetetrazole | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.6 Ų | RDKit |
| LogP | 0.39949999999999997 | RDKit |
| Molar Refractivity | 35.372 | RDKit |
