Chemical ID: 5607191

c1ccc(cc1)c2[nH]nc(n2)CCN
Chemical ID:
5607191
Name [?]:
2-(5-phenyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILES [?]:
c1ccc(cc1)c2[nH]nc(n2)CCN
InChi [?]:
InChI=1/C10H12N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,4,10,7,14,11,9,8/E:(2,3)(4,5)/rA:14nCCCCCCCNNCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;d7s10;s10;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.72031
Area:376.694
Solvation:-1.69704
Coulombic:-29.2836
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.229
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.49
LogP (Chemaxon):0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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