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Trapidil
CAS: 15421-84-8 | C10H15N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15421-84-8
Molecular Formula:
C10H15N5
Molecular Mass:
205.27 g/mol
Names and Synonyms:
Trapidil
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, N,N-diethyl-5-methyl-
s-Triazolo[1,5-a]pyrimidine, 7-(diethylamino)-5-methyl-
N,N-Diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
5-Methyl-7-(diethylamino)-s-triazolo[1,5-a]pyrimidine
5-Methyl-7-(diethylamino)-1,2,4-triazolo[1,5-a]pyrimidine
Rocornal
Trapymin
Trapymine
4-(Diethylamino)-6-methyl-1,3,3a,7-tetraazaindene
Trapidil
Avantrin
AR 12008
Identifiers:
SMILES:
CCN(CC)c1cc(C)nc2ncnn12
InChI:
InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
Key Properties
Melting Point
100 °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 | 205.27 g/mol | CAS Common Chemistry |
| 205.265 g/mol | RDKit | |
| 205.13274547999998 g/mol | RDKit | |
| Canonical SMILES | N=1C=NN2C1N=C(C=C2N(CC)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GSNOZLZNQMLSKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | Trapidil | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.32000000000001 Ų | RDKit |
| LogP | 1.2789199999999998 | RDKit |
| Molar Refractivity | 59.080000000000034 | RDKit |
