Chemical ID: 4085400

c1ccc(cc1)NC(=O)Nn2cncn2
Chemical ID:
4085400
Name [?]:
1-phenyl-3-(1,2,4-triazol-1-yl)urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nn2cncn2
InChi [?]:
InChI=1/C9H9N5O/c15-9(13-14-7-10-6-11-14)12-8-4-2-1-3-5-8/h1-7H,(H2,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,12,4,8,13,15,7,10,11,9/E:(2,3)(4,5)/rA:15nCCCCCCNCONNCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N5O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.87318
Area:373.1
Solvation:-2.45432
Coulombic:-39.6374
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.201
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.77
LogP (Chemaxon):1.04

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Descriptor Annotations

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