Chemical ID: 7972678

Cn1ccnc1CN
Chemical ID:
7972678
Name [?]:
(1-methylimidazol-2-yl)methanamine
SMILES [?]:
Cn1ccnc1CN
InChi [?]:
InChI=1/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,7,6,8,5,2/rA:8nCNCCNCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;/rC:-.0178,1.4608,.0101;.0021,-.0041,.002;.0086,-.8102,-1.1042;.0285,-2.0813,-.6599;.0339,-2.0521,.681;.0233,-.8111,1.0845;.025,-.3545,2.5207;1.4104,-.1929,2.9815;

Chemical Details

Atom Count
Formula:C5H9N3
All Atoms:17
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.55382
Area:261.948
Solvation:-1.99488
Coulombic:-21.7707
Bond Count [?]
All:17
Single:15
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:111.145
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:-0.6
LogP (Chemaxon):-0.62

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Descriptor Annotations

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