Chemical ID: 4687738

c1ncn(n1)CC#N
Chemical ID:
4687738
Name [?]:
2-(1,2,4-triazol-1-yl)acetonitrile
SMILES [?]:
c1ncn(n1)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C4H4N4
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:3.86174
Area:263.044
Solvation:-2.71435
Coulombic:-11.2034
Bond Count [?]
All:8
Single:5
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:108.102
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.77
LogP (Chemaxon):-0.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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