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Chemical ID: 6501515
Chemical ID:
6501515
Name [?]:
N-(2-oxo-1H-pyrimidin-4-yl)-1H-1,2,4-triazole-3-carboxamide
SMILES [?]:
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
InChi [?]:
InChI=1/C7H6N6O2/c14-6(5-9-3-10-13-5)11-4-1-2-8-7(15)12-4/h1-3H,(H,9,10,13)(H2,8,11,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,13,7,11,9,4,3,12,14,8,6,15,10,5/rA:15nCCNCONCNCOCNCNN/rB:d1;s2;s3;d4;s4;s1d6;s7;s8;d9;s9;s11;d12;s13;d11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6N6O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07208 |
Area: | 365.944 |
Solvation: | -4.07653 |
Coulombic: | -64.3548 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.162 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -1.28 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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