Chemical ID: 5111392

c1cnc(c2c1[nH]cn2)N
Chemical ID:
5111392
Name [?]:
3,7,9-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-amine
SMILES [?]:
c1cnc(c2c1[nH]cn2)N
InChi [?]:
InChI=1/C6H6N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H2,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,5,4,10,3,7,9/rA:10nCCNCCCNCNN/rB:s1;d2;s3;d4;d1s5;s6;s7;s5d8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.10863
Area:274.224
Solvation:-1.74695
Coulombic:-37.3899
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:134.139
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:-0.02
LogP (Chemaxon):-0.09

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Descriptor Annotations

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