Chemical ID: 4690742

C1CCn2c(nnc2CC#N)C1
Chemical ID:
4690742
Name [?]:
2-(1,7,8-triazabicyclo[4.3.0]nona-6,8-dien-9-yl)acetonitrile
SMILES [?]:
C1CCn2c(nnc2CC#N)C1
InChi [?]:
InChI=1/C8H10N4/c9-5-4-8-11-10-7-3-1-2-6-12(7)8/h1-4,6H2
InChi Info:
AuxInfo=1/0/N:1,2,12,9,10,3,5,8,11,6,7,4/rA:12nCCCNCNNCCCNC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;t10;s1s5;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.8387
Area:326.146
Solvation:-2.31494
Coulombic:-11.0364
Bond Count [?]
All:13
Single:10
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.192
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.47
LogP (Chemaxon):-0.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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