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Chemical ID: 4556997
Chemical ID:
4556997
Name [?]:
5-amino-2-tetrahydrofuran-2-yl-1,2,4-triazin-3-one
SMILES [?]:
c1c(nc(=O)n(n1)C2CCCO2)N
InChi [?]:
InChI=1/C7H10N4O2/c8-5-4-9-11(7(12)10-5)6-2-1-3-13-6/h4,6H,1-3H2,(H2,8,10,12)
InChi Info:
AuxInfo=1/1/N:10,9,11,1,2,8,4,13,7,3,6,5,12/rA:13cCCNCONNCCCCON/rB:s1;d2;s3;d4;s4;d1s6;s6;s8;s9;s10;s8s11;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N4O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.31017 |
Area: | 334.422 |
Solvation: | -3.05037 |
Coulombic: | -47.7098 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.18 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.5 |
LogP (Chemaxon): | -0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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