Chemical ID: 6117630

Cc1c(c(n(n1)C)C)N=Nc2ccccc2OC
Chemical ID:
6117630
Name [?]:
4-(2-methoxyphenyl)azo-1,3,5-trimethyl-pyrazole
SMILES [?]:
Cc1c(c(n(n1)C)C)N=Nc2ccccc2OC
InChi [?]:
InChI=1/C13H16N4O/c1-9-13(10(2)17(3)16-9)15-14-11-7-5-6-8-12(11)18-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,7,18,13,14,12,15,2,4,11,16,3,10,9,6,5,17/rA:18nCCCCNNCCNNCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.74055
Area:411.616
Solvation:-3.54984
Coulombic:-15.7819
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:244.292
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.33
LogP (Chemaxon):2.55

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Descriptor Annotations

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