Chemical ID: 7122908

Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
Chemical ID:
7122908
Name [?]:
(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methanone
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
InChi [?]:
InChI=1/C14H14N6O/c1-9-12(13(21)20-14(15)16-8-17-20)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,10,9,11,8,12,19,2,4,7,3,14,17,21,18,20,6,5,16,15/E:(4,5)(6,7)/rA:21nCCCCNNCCCCCCCCONCNCNN/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;d14;s14;s16;d17;s18;s16d19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N6O
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.16252
Area:467.598
Solvation:-2.52742
Coulombic:-43.0284
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.301
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.76
LogP (Chemaxon):1.74

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