Chemical ID: 5180843

CC(=O)N1CCn2c1ccn2
Chemical ID:
5180843
Name [?]:
1-(1,2,6-triazabicyclo[3.3.0]octa-2,4-dien-6-yl)ethanone
SMILES [?]:
CC(=O)N1CCn2c1ccn2
InChi [?]:
InChI=1/C7H9N3O/c1-6(11)9-4-5-10-7(9)2-3-8-10/h2-3H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,5,6,2,8,11,4,7,3/rA:11nCCONCCNCCCN/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.41449
Area:298.621
Solvation:-3.05105
Coulombic:-17.3585
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.166
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.28
LogP (Chemaxon):-0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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