Chemical ID: 6419445

c1ccc(cc1)c2nc([nH]n2)NC(=O)N
Chemical ID:
6419445
Name [?]:
(5-phenyl-2H-1,2,4-triazol-3-yl)urea
SMILES [?]:
c1ccc(cc1)c2nc([nH]n2)NC(=O)N
InChi [?]:
InChI=1/C9H9N5O/c10-8(15)12-9-11-7(13-14-9)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,13,9,15,8,12,11,10,14/E:(2,3)(4,5)/rA:15nCCCCCCCNCNNNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N5O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.50012
Area:377.111
Solvation:-1.92765
Coulombic:-56.844
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.201
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.07
LogP (Chemaxon):1.57

Name Annotations

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Descriptor Annotations

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