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Chemical ID: 4679275
Chemical ID:
4679275
Name [?]:
1-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazole
SMILES [?]:
c1ncn(n1)Cn2cncn2
InChi [?]:
InChI=1/C5H6N6/c1-6-3-10(8-1)5-11-4-7-2-9-11/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:1,10,3,8,6,2,9,5,11,4,7/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:11nCNCNNCNCNCN/rB:s1;d2;s3;d1s4;s4;s6;s7;d8;s9;s7d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N6 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.10759 |
Area: | 305.058 |
Solvation: | -3.51886 |
Coulombic: | -17.5382 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.142 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | -0.59 |
LogP (Chemaxon): | -0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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