Chemical ID: 6501515

c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
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

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