Chemical ID: 3965034

CCN(c1c(nc(c(n1)N)C(=O)NC(=N)N)Cl)C(C)C
Chemical ID:
3965034
Name [?]:
N-amidino-3-amino-6-chloro-5-(ethyl-isopropyl-amino)-pyrazine-2-carboxamide
SMILES [?]:
CCN(c1c(nc(c(n1)N)C(=O)NC(=N)N)Cl)C(C)C
InChi [?]:
InChI=1/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,18,7,5,8,4,11,14,17,10,15,16,6,9,13,3,12/E:(2,3)(14,15)/rA:20nCCNCCNCCNNCONCNNClCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;d11;s11;s13;w14;s14;s5;s3;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18ClN7O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.31014
Area:476.193
Solvation:-2.59469
Coulombic:-85.1299
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:299.76
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):2.06

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