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Chemical ID: 6435305
Chemical ID:
6435305
Name [?]:
3-[[6-(4-bromophenyl)amino-1,2,4,5-tetrazin-3-yl]amino]propan-1-ol
SMILES [?]:
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
InChi [?]:
InChI=1/C11H13BrN6O/c12-8-2-4-9(5-3-8)14-11-17-15-10(16-18-11)13-6-1-7-19/h2-5,19H,1,6-7H2,(H,13,15,16)(H,14,17,18)
InChi Info:
AuxInfo=1/1/N:16,2,4,1,5,15,17,3,6,11,8,19,14,7,10,12,9,13,18/E:(2,3)(4,5)(15,16)(17,18)/rA:19nCCCCCCNCNNCNNNCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13BrN6O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57981 |
Area: | 482.56 |
Solvation: | -2.48419 |
Coulombic: | -53.083 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.165 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.44 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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