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Chemical ID: 4083124
Chemical ID:
4083124
Name [?]:
ethyl (3-propyl-1,2,4-triazol-4-yl)aminoformate
SMILES [?]:
CCCc1nncn1NC(=O)OCC
InChi [?]:
InChI=1/C8H14N4O2/c1-3-5-7-10-9-6-12(7)11-8(13)14-4-2/h6H,3-5H2,1-2H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,3,7,4,10,6,5,9,8,11,12/rA:14nCCCCNNCNNCOOCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N4O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71536 |
Area: | 389.936 |
Solvation: | -2.03304 |
Coulombic: | -37.9068 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 198.223 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.94 |
LogP (Chemaxon): | -0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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