Chemical ID: 3997012

c1ccc2c(c1)nc3n2CCN3
Chemical ID:
3997012
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2CCN3
InChi [?]:
InChI=1/C9H9N3/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9/h1-4H,5-6H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,10,5,4,8,12,7,9/rA:12nCCCCCCNCNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.07238
Area:307.157
Solvation:-1.60654
Coulombic:-24.5436
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:159.188
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.55
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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