Chemical ID: 6913887

c1c[nH]c2c1nc[nH]c2=O
Chemical ID:
6913887
Name [?]:
3,5,9-triazabicyclo[4.3.0]nona-4,7,10-trien-2-one
SMILES [?]:
c1c[nH]c2c1nc[nH]c2=O
InChi [?]:
InChI=1/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,7,5,4,9,3,6,8,10/rA:10nCCNCCNCNCO/rB:d1;s2;s3;s1d4;s5;d6;s7;s4s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3O
All Atoms:15
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.93464
Area:270.781
Solvation:-1.83489
Coulombic:-37.1982
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:135.124
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.17
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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