Chemical ID: 5239612

CN1CNC(=O)c2c1[nH]nn2
Chemical ID:
5239612
Name [?]:
5-methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-8,10-dien-2-one
SMILES [?]:
CN1CNC(=O)c2c1[nH]nn2
InChi [?]:
InChI=1/C5H7N5O/c1-10-2-6-5(11)3-4(10)8-9-7-3/h2H2,1H3,(H,6,11)(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,5,4,11,9,10,2,6/rA:11cCNCNCOCCNNN/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N5O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.60719
Area:288.19
Solvation:-2.59756
Coulombic:-37.2468
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:153.142
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.14
LogP (Chemaxon):-0.57

Name Annotations

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Descriptor Annotations

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