Chemical ID: 7197580

c1cc(c(c(c1)Cl)Cn2cnc(n2)N)Cl
Chemical ID:
7197580
Name [?]:
1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
SMILES [?]:
c1cc(c(c(c1)Cl)Cn2cnc(n2)N)Cl
InChi [?]:
InChI=1/C9H8Cl2N4/c10-7-2-1-3-8(11)6(7)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,10,4,3,5,12,15,7,14,11,13,9/E:(2,3)(7,8)(10,11)/rA:15nCCCCCCClCNCNCNNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s11;s9d12;s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8Cl2N4
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.99125
Area:392.462
Solvation:-1.82028
Coulombic:-29.5952
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.092
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):2.22

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Descriptor Annotations

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