Chemical ID: 4775079

c1cc(sc1)c2cc([nH]n2)NC(=N)NC(=N)N
Chemical ID:
4775079
Name [?]:
3-amidino-1-[5-(2-thienyl)-2H-pyrazol-3-yl]-guanidine
SMILES [?]:
c1cc(sc1)c2cc([nH]n2)NC(=N)NC(=N)N
InChi [?]:
InChI=1/C9H11N7S/c10-8(11)14-9(12)13-7-4-5(15-16-7)6-2-1-3-17-6/h1-4H,(H7,10,11,12,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,3,8,15,12,16,17,13,11,14,10,9,4/E:(10,11)/rA:17nCCCSCCCCNNNCNNCNN/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;s11;w12;s12;s14;w15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N7S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.86859
Area:431.187
Solvation:-2.91109
Coulombic:-72.1552
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:249.297
H-Bond Donors:6
H-Bond Acceptors:5
XLogP:1.71
LogP (Chemaxon):1.45

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Descriptor Annotations

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