Chemical ID: 4663873

CNc1cnnc2c1cccc2
Chemical ID:
4663873
Name [?]:
N-methylcinnolin-4-amine
SMILES [?]:
CNc1cnnc2c1cccc2
InChi [?]:
InChI=1/C9H9N3/c1-10-9-6-11-12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,4,8,7,3,2,5,6/rA:12nCNCCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.24996
Area:315.062
Solvation:-1.6266
Coulombic:-15.7464
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:159.188
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.94
LogP (Chemaxon):0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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