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Chemical ID: 7088494
Chemical ID:
7088494
Name [?]:
5-cyclobutyl-4H-1,2,4-triazol-3-amine
SMILES [?]:
C1CC(C1)c2[nH]c(nn2)N
InChi [?]:
InChI=1/C6H10N4/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,3,5,7,10,6,9,8/E:(2,3)/rA:10nCCCCCNCNNN/rB:s1;s2;s1s3;s3;s5;s6;d7;d5s8;s7;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N4 |
All Atoms: | 20 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0642 |
Area: | 293.281 |
Solvation: | -1.26782 |
Coulombic: | -32.1194 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 138.171 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.73 |
LogP (Chemaxon): | -0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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