Chemical ID: 6499119

c1ncn(n1)NCNn2cncn2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue