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Chemical ID: 4659282
Chemical ID:
4659282
Name [?]:
2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(ccn1)C(=O)Nn2cnnc2
InChi [?]:
InChI=1/C7H8N6O/c1-12-6(2-3-10-12)7(14)11-13-4-8-9-5-13/h2-5H,1H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,4,5,11,14,3,7,12,13,6,9,2,10,8/E:(4,5)(8,9)/rA:14nCNCCCNCONNCNNC/rB:s1;s2;d3;s4;s2d5;s3;d7;s7;s9;s10;d11;s12;s10d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N6O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.12022 |
Area: | 350.315 |
Solvation: | -3.63765 |
Coulombic: | -27.7519 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.178 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.59 |
LogP (Chemaxon): | -2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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