Chemical ID: 4746680

Cc1c(c(n(n1)C)C)Nc2[nH]nc(n2)N
Chemical ID:
4746680
Name [?]:
N'-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole-3,5-diamine
SMILES [?]:
Cc1c(c(n(n1)C)C)Nc2[nH]nc(n2)N
InChi [?]:
InChI=1/C8H13N7/c1-4-6(5(2)15(3)14-4)10-8-11-7(9)12-13-8/h1-3H3,(H4,9,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,7,2,4,3,13,10,15,9,14,12,11,6,5/rA:15nCCCCNNCCNCNNCNN/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;s9;s10;s11;d12;d10s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N7
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.30788
Area:381.384
Solvation:-2.22672
Coulombic:-48.77
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.236
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.58
LogP (Chemaxon):0.08

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