Chemical ID: 5758566

CCOC(=O)Cc1[nH]ncn1
Chemical ID:
5758566
Name [?]:
ethyl 2-(2H-1,2,4-triazol-3-yl)acetate
SMILES [?]:
CCOC(=O)Cc1[nH]ncn1
InChi [?]:
InChI=1/C6H9N3O2/c1-2-11-6(10)3-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,7,4,11,9,8,5,3/rA:11nCCOCOCCNNCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;d7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.00081
Area:324.583
Solvation:-3.11376
Coulombic:-30.8141
Bond Count [?]
All:11
Single:8
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.155
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.12
LogP (Chemaxon):0.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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