Chemical ID: 4083124

CCCc1nncn1NC(=O)OCC
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

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Descriptor Annotations

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