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Chemical ID: 5607191
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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