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Chemical ID: 6499119
Chemical ID:
6499119
Name [?]:
N,N'-bis(1,2,4-triazol-1-yl)methanediamine
SMILES [?]:
c1ncn(n1)NCNn2cncn2
InChi [?]:
InChI=1/C5H8N8/c1-6-4-12(8-1)10-3-11-13-5-7-2-9-13/h1-2,4-5,10-11H,3H2
InChi Info:
AuxInfo=1/0/N:1,12,7,3,10,2,11,5,13,6,8,4,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:13nCNCNNNCNNCNCN/rB:s1;d2;s3;d1s4;s4;s6;s7;s8;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H8N8 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.34311 |
Area: | 336.217 |
Solvation: | -4.06232 |
Coulombic: | -28.9934 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.171 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.05 |
LogP (Chemaxon): | -1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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