Chemical ID: 5565427

CNC(=O)Nc1ccc2c(c1)nnn2C
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

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Descriptor Annotations

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