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Chemical ID: 7112529
Chemical ID:
7112529
Name [?]:
N-(2-furylmethyl)-1,2,4-triazol-4-amine
SMILES [?]:
c1cc(oc1)CNn2cnnc2
InChi [?]:
InChI=1/C7H8N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-3,5-6,10H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,9,12,3,10,11,7,8,4/E:(5,6)(8,9)/rA:12nCCCOCCNNCNNC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N4O |
All Atoms: | 20 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.49306 |
Area: | 328.69 |
Solvation: | -3.7242 |
Coulombic: | -20.1274 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.19 |
LogP (Chemaxon): | -1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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