Chemical ID: 5064386

CCCCCCc1c[nH]nn1
Chemical ID:
5064386
Name [?]:
4-hexyl-1H-triazole
SMILES [?]:
CCCCCCc1c[nH]nn1
InChi [?]:
InChI=1/C8H15N3/c1-2-3-4-5-6-8-7-9-11-10-8/h7H,2-6H2,1H3,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,8,7,9,11,10/rA:11nCCCCCCCCNNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H15N3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.08462
Area:349.691
Solvation:-1.65765
Coulombic:-8.60829
Bond Count [?]
All:11
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:153.225
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.86
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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