Chemical ID: 6705289

CC1=C(C(n2c(nnn2)N1)c3cc[nH+]cc3)C(=O)Nc4ccc[nH+]c4
Chemical ID:
6705289
Name [?]:
4-methyl-2-(1H-pyridin-4-yl)-N-(1H-pyridin-5-yl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxamide
SMILES [?]:
CC1=C(C(n2c(nnn2)N1)c3cc[nH+]cc3)C(=O)Nc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16N8O+2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-81.4582
Area:504.481
Solvation:-94.0702
Coulombic:8.12529
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.352
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.37
LogP (Chemaxon):-0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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