Chemical ID: 5500732

CCCC1=C(C(n2c(ncn2)N1)C)C(=O)OCC
Chemical ID:
5500732
Name [?]:
ethyl 2-methyl-4-propyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxylate
SMILES [?]:
CCCC1=C(C(n2c(ncn2)N1)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H18N4O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.65473
Area:434.681
Solvation:-2.2123
Coulombic:-42.1904
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.297
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.02
LogP (Chemaxon):0.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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