Chemical ID: 4122420

CC1CC(n2c(ncn2)N1)c3ccccc3
Chemical ID:
4122420
Name [?]:
4-methyl-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene
SMILES [?]:
CC1CC(n2c(ncn2)N1)c3ccccc3
InChi [?]:
InChI=1/C12H14N4/c1-9-7-11(10-5-3-2-4-6-10)16-12(15-9)13-8-14-16/h2-6,8-9,11H,7H2,1H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,3,8,2,11,4,6,7,9,10,5/E:(3,4)(5,6)/rA:16cCCCCNCNCNNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s2s6;s4;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.46484
Area:378.733
Solvation:-2.00347
Coulombic:-24.7236
Bond Count [?]
All:18
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:214.267
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.3
LogP (Chemaxon):2.13

Name Annotations

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Descriptor Annotations

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