Chemical ID: 5222217

Cc1c2c(nc(nc2c([nH]1)c3ccccc3)C)C
Chemical ID:
5222217
Name [?]:
2,4,9-trimethyl-7-phenyl-3,5,8-triazabicyclo[4.3.0]nona-2,4,6,9-tetraene
SMILES [?]:
Cc1c2c(nc(nc2c([nH]1)c3ccccc3)C)C
InChi [?]:
InChI=1/C15H15N3/c1-9-13-10(2)17-14(12-7-5-4-6-8-12)15(13)18-11(3)16-9/h4-8,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:18,1,17,14,13,15,12,16,4,2,6,11,3,9,8,5,10,7/E:(5,6)(7,8)/rA:18nCCCCNCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;s2s9;s9;s11;d12;s13;d14;d11s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.01221
Area:420.92
Solvation:-1.51078
Coulombic:-22.5116
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:237.3
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.1
LogP (Chemaxon):2.88

Name Annotations

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Descriptor Annotations

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