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Triamterene
CAS: 396-01-0 | C12H11N7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
396-01-0
Molecular Formula:
C12H11N7
Molecular Mass:
253.27 g/mol
Names and Synonyms:
Triamterene
Triteren
Dyren
2,4,7-Pteridinetriamine, 6-phenyl-
Triampur
Pteridine, 2,4,7-triamino-6-phenyl-
6-Phenyl-2,4,7-pteridinetriamine
SKF 8542
Ademine
Ditak
Dyrenium
2,4,7-Triamino-6-phenylpteridine
Triamterene
Triamteril complex
Dytac
6-Phenyl-2,4,7-triaminopteridine
Triamteren
Jatropur
Tri-Span
Diren
Noridil
Pterofen
Teriam
Triamteril
Pterophene
Taturil
Diurene
Teridin
Urocaudal
Ademin
NSC 77625
Identifiers:
SMILES:
N=c1[nH]c2nc(=N)c(-c3ccccc3)nc-2c(N)[nH]1
InChI:
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
Key Properties
Melting Point
316 °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 | 253.27 g/mol | CAS Common Chemistry |
| 253.26900000000003 g/mol | RDKit | |
| 253.10759335199998 g/mol | RDKit | |
| Canonical SMILES | N1=C(N=C(N)C2=NC(=C(N=C12)N)C3=CC=CC=C3)N | CAS Common Chemistry |
| InChI | InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=FNYLWPVRPXGIIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 316 °C | CAS Common Chemistry |
| Name | Triamterene | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 131.07999999999998 Ų | RDKit |
| LogP | 0.4457400000000002 | RDKit |
| Molar Refractivity | 68.91319999999999 | RDKit |
