Chemical ID: 4679275

c1ncn(n1)Cn2cncn2
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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