Chemical ID: 7974446

c1ccnc(c1)n2cc(cn2)CN
Chemical ID:
7974446
Name [?]:
[1-(2-pyridyl)pyrazol-4-yl]methanamine
SMILES [?]:
c1ccnc(c1)n2cc(cn2)CN
InChi [?]:
InChI=1/C9H10N4/c10-5-8-6-12-13(7-8)9-3-1-2-4-11-9/h1-4,6-7H,5,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,10,8,9,5,13,4,11,7/rA:13nCCCNCCNCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s9;s12;/rC:-.0167,1.3799,.0096;1.1941,2.0584,.0017;2.3724,1.3379,-.0134;2.3586,.019,-.0204;1.2251,-.6634,-.0132;.0021,-.0041,.002;1.2582,-2.0611,-.021;2.3744,-2.8353,-.0304;1.976,-4.128,-.0351;.5766,-4.1485,-.0286;.1462,-2.9133,-.0145;2.8798,-5.3339,-.0461;3.1806,-5.733,1.3352;

Chemical Details

Atom Count
Formula:C9H10N4
All Atoms:23
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.30781
Area:348.519
Solvation:-2.40517
Coulombic:-21.3584
Bond Count [?]
All:24
Single:19
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:174.203
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.68
LogP (Chemaxon):0.51

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Descriptor Annotations

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