Chemical ID: 4908772

Cc1c(n2c(c1C#N)NCC2)C
Chemical ID:
4908772
Name [?]:
7,8-dimethyl-1,4-diazabicyclo[3.3.0]octa-5,7-diene-6-carbonitrile
SMILES [?]:
Cc1c(n2c(c1C#N)NCC2)C
InChi [?]:
InChI=1/C9H11N3/c1-6-7(2)12-4-3-11-9(12)8(6)5-10/h11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,10,11,7,2,3,6,5,8,9,4/rA:12nCCCNCCCNNCCC/rB:s1;d2;s3;s4;s2d5;s6;t7;s5;s9;s4s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.70979
Area:331.295
Solvation:-1.57258
Coulombic:-19.8001
Bond Count [?]
All:13
Single:10
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.204
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.07
LogP (Chemaxon):0.94

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Descriptor Annotations

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