Chemical ID: 5809852

CCC(C)(C#C)NC(=O)Cn1nc(nn1)c2ccc(cc2)C
Chemical ID:
5809852
Name [?]:
N-(1-ethyl-1-methyl-prop-2-ynyl)-2-[5-(p-tolyl)tetrazol-2-yl]-acetamide
SMILES [?]:
CCC(C)(C#C)NC(=O)Cn1nc(nn1)c2ccc(cc2)C
InChi [?]:
InChI=1/C16H19N5O/c1-5-16(4,6-2)17-14(22)11-21-19-15(18-20-21)13-9-7-12(3)8-10-13/h1,7-10H,6,11H2,2-4H3,(H,17,22)
InChi Info:
AuxInfo=1/1/N:6,1,22,4,5,2,18,20,17,21,10,19,16,8,13,3,7,14,12,15,11,9/E:(7,8)(9,10)/rA:22cCCCCCCNCOCNNCNNCCCCCCC/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;s10;s11;d12;s13;s11d14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N5O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.2383
Area:524.778
Solvation:-2.88111
Coulombic:-29.5902
Bond Count [?]
All:23
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.355
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):2.19

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Descriptor Annotations

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