Chemical ID: 4694307

CC(c1cc[nH]n1)n2cncn2
Chemical ID:
4694307
Name [?]:
1-[1-(1H-pyrazol-3-yl)ethyl]-1,2,4-triazole
SMILES [?]:
CC(c1cc[nH]n1)n2cncn2
InChi [?]:
InChI=1/C7H9N5/c1-6(7-2-3-9-11-7)12-5-8-4-10-12/h2-6H,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,4,5,11,9,2,3,10,6,12,7,8/rA:12cCCCCCNNNCNCN/rB:s1;s2;s3;d4;s5;d3s6;s2;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N5
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:4.94424
Area:324.413
Solvation:-3.16609
Coulombic:-17.7656
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.18
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.66
LogP (Chemaxon):0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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