ChemDB: Chemical Search
Download
Chemical ID: 5565427
Chemical ID:
5565427
Name [?]:
1-methyl-3-(1-methylbenzotriazol-5-yl)-urea
SMILES [?]:
CNC(=O)Nc1ccc2c(c1)nnn2C
InChi [?]:
InChI=1/C9H11N5O/c1-10-9(15)11-6-3-4-8-7(5-6)12-13-14(8)2/h3-5H,1-2H3,(H2,10,11,15)
InChi Info:
AuxInfo=1/1/N:1,15,7,8,11,6,10,9,3,2,5,12,13,14,4/rA:15nCNCONCCCCCCNNNC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N5O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79276 |
Area: | 375.724 |
Solvation: | -2.60034 |
Coulombic: | -37.2012 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.217 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.16 |
LogP (Chemaxon): | 0.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|