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Chemical ID: 4700572
Chemical ID:
4700572
Name [?]:
N,N,N',N'-tetramethyl-1H-1,2,4-triazole-3,5-diamine
SMILES [?]:
CN(C)c1[nH]nc(n1)N(C)C
InChi [?]:
InChI=1/C6H13N5/c1-10(2)5-7-6(9-8-5)11(3)4/h1-4H3,(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,4,7,8,5,6,2,9/E:(1,2,3,4)(5,6)(8,9)(10,11)/rA:11nCNCCNNCNNCC/rB:s1;s2;s2;s4;s5;d6;d4s7;s7;s9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H13N5 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51949 |
Area: | 327.633 |
Solvation: | -1.67133 |
Coulombic: | -31.9708 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 155.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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