Chemical ID: 6422458

c1ccc(cc1)n2cc(cn2)CN
Chemical ID:
6422458
Name [?]:
(1-phenylpyrazol-4-yl)methanamine
SMILES [?]:
c1ccc(cc1)n2cc(cn2)CN
InChi [?]:
InChI=1/C10H11N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,8,9,4,13,11,7/E:(2,3)(4,5)/rA:13nCCCCCCNCCCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.52105
Area:350.161
Solvation:-2.23297
Coulombic:-16.6329
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:173.215
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.2
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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