Chemical ID: 4924815

Cn1c(ncn1)CCc2ccccc2
Chemical ID:
4924815
Name [?]:
1-methyl-5-phenethyl-1,2,4-triazole
SMILES [?]:
Cn1c(ncn1)CCc2ccccc2
InChi [?]:
InChI=1/C11H13N3/c1-14-11(12-9-13-14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,8,7,5,9,3,4,6,2/E:(3,4)(5,6)/rA:14nCNCNCNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s3;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.39114
Area:373.924
Solvation:-1.95695
Coulombic:-10.9495
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.241
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.67
LogP (Chemaxon):2.03

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Descriptor Annotations

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