Chemical ID: 5871620

c1ccc(cc1)c2c(nnc(n2)O)c3ccccc3
Chemical ID:
5871620
Name [?]:
5,6-diphenyl-1,2,4-triazin-3-ol
SMILES [?]:
c1ccc(cc1)c2c(nnc(n2)O)c3ccccc3
InChi [?]:
InChI=1/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,4,14,7,8,11,12,9,10,13/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCNNCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s8;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.47388
Area:414.341
Solvation:-1.88465
Coulombic:-32.222
Bond Count [?]
All:21
Single:12
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.267
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.76
LogP (Chemaxon):3.15

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