Chemical ID: 5148040

Cc1cn(nn1)c2ccccc2
Chemical ID:
5148040
Name [?]:
4-methyl-1-phenyl-triazole
SMILES [?]:
Cc1cn(nn1)c2ccccc2
InChi [?]:
InChI=1/C9H9N3/c1-8-7-12(11-10-8)9-5-3-2-4-6-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,3,2,7,6,5,4/E:(3,4)(5,6)/rA:12nCCCNNNCCCCCC/rB:s1;d2;s3;s4;s2d5;s4;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.24341
Area:323.584
Solvation:-1.84618
Coulombic:-3.97302
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:159.188
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.7
LogP (Chemaxon):1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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