Chemical ID: 4154872

CCOC(=O)C1=C(Nc2nnnn2C1c3cccnc3)C
Chemical ID:
4154872
Name [?]:
ethyl 3-methyl-5-(3-pyridyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene-4-carboxylate
SMILES [?]:
CCOC(=O)C1=C(Nc2nnnn2C1c3cccnc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H14N6O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.5358
Area:451.335
Solvation:-2.74758
Coulombic:-40.8781
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.289
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.27
LogP (Chemaxon):-0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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