Chemical ID: 5259092

c1ccc(cc1)OCc2cnn[nH]2
Chemical ID:
5259092
Name [?]:
4-(phenoxymethyl)-3H-triazole
SMILES [?]:
c1ccc(cc1)OCc2cnn[nH]2
InChi [?]:
InChI=1/C9H9N3O/c1-2-4-9(5-3-1)13-7-8-6-10-12-11-8/h1-6H,7H2,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,8,9,4,11,13,12,7/E:(2,3)(4,5)/rA:13nCCCCCCOCCCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.89105
Area:346.339
Solvation:-2.76744
Coulombic:-16.3854
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.187
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.42
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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