Chemical ID: 5223932

c1ccc2c(c1)CN3CCNC3=N2
Chemical ID:
5223932
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CN3CCNC3=N2
InChi [?]:
InChI=1/C10H11N3/c1-2-4-9-8(3-1)7-13-6-5-11-10(13)12-9/h1-4H,5-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,9,7,5,4,12,11,13,8/rA:13nCCCCCCCNCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.27496
Area:323.206
Solvation:-1.80518
Coulombic:-24.5993
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.57
LogP (Chemaxon):2.3

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Descriptor Annotations

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