Chemical ID: 6478428

c1cc(sc1)c2c([nH]nn2)C#N
Chemical ID:
6478428
Name [?]:
5-(2-thienyl)-3H-triazole-4-carbonitrile
SMILES [?]:
c1cc(sc1)c2c([nH]nn2)C#N
InChi [?]:
InChI=1/C7H4N4S/c8-4-5-7(10-11-9-5)6-2-1-3-12-6/h1-3H,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,7,3,6,12,8,10,9,4/rA:12nCCCSCCCNNNCN/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s6d9;s7;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.61772
Area:331.682
Solvation:-1.67433
Coulombic:-13.188
Bond Count [?]
All:13
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.2
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.81
LogP (Chemaxon):0.82

Name Annotations

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Descriptor Annotations

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