Back to Search
Zm-241,385
CAS: 139180-30-6 | C16H15N7O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139180-30-6
Molecular Formula:
C16H15N7O2
Molecular Mass:
337.34 g/mol
Names and Synonyms:
Zm-241,385
Phenol, 4-[2-[[7-amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-
[1,2,4]Triazolo[1,5-a][1,3,5]triazine, phenol deriv.
4-[2-[[7-Amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
ZM 241385
4-[2-[7-Amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl]phenol
ZM 241358
Identifiers:
SMILES:
N=c1[nH]c(=NCCc2ccc(O)cc2)[nH]c2nc(-c3ccco3)nn12
InChI:
InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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 | 337.34 g/mol | CAS Common Chemistry |
| 337.3430000000001 g/mol | RDKit | |
| 337.12872272000004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/ZM-241,385 | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCNC2=NC3=NC(=NN3C(=N2)N)C=4OC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=PWTBZOIUWZOPFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-[2-[7-Amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl]phenol | CAS Common Chemistry |
| ZM-241,385 | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 131.35000000000002 Ų | RDKit |
| LogP | 0.9739699999999996 | RDKit |
| Molar Refractivity | 87.4859 | RDKit |
