Chemical ID: 6504214

CCCCOC(C)n1cnnc1
Chemical ID:
6504214
Name [?]:
4-(1-butoxyethyl)-1,2,4-triazole
SMILES [?]:
CCCCOC(C)n1cnnc1
InChi [?]:
InChI=1/C8H15N3O/c1-3-4-5-12-8(2)11-6-9-10-7-11/h6-8H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,3,4,9,12,6,10,11,8,5/E:(6,7)(9,10)/rA:12cCCCCOCCNCNNC/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H15N3O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.08932
Area:362.967
Solvation:-2.98485
Coulombic:-17.1096
Bond Count [?]
All:12
Single:10
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:169.224
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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