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Chemical ID: 4121306
Chemical ID:
4121306
Name [?]:
4-methyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-amine
SMILES [?]:
Cc1ccc2c(n[nH]c2n1)N
InChi [?]:
InChI=1/C7H8N4/c1-4-2-3-5-6(8)10-11-7(5)9-4/h2-3H,1H3,(H3,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,6,9,11,10,7,8/rA:11nCCCCCCNNCNN/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s6;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.74897 |
Area: | 298.048 |
Solvation: | -1.70224 |
Coulombic: | -31.9609 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 148.165 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.45 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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