Chemical ID: 4726667

CCOC(=O)CSc1[nH]nc(n1)N
Chemical ID:
4726667
Name [?]:
ethyl 2-[(5-amino-2H-1,2,4-triazol-3-yl)sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1[nH]nc(n1)N
InChi [?]:
InChI=1/C6H10N4O2S/c1-2-12-4(11)3-13-6-8-5(7)9-10-6/h2-3H2,1H3,(H3,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,11,8,13,12,10,9,5,3,7/rA:13nCCOCOCSCNNCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;d8s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10N4O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.21762
Area:384.171
Solvation:-2.38664
Coulombic:-51.9632
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:202.235
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.21
LogP (Chemaxon):0.62

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Descriptor Annotations

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