Chemical ID: 4710128

CC(C)(C(=O)c1cnoc1N)n2cncn2
Chemical ID:
4710128
Name [?]:
1-(5-aminoisoxazol-4-yl)-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILES [?]:
CC(C)(C(=O)c1cnoc1N)n2cncn2
InChi [?]:
InChI=1/C9H11N5O2/c1-9(2,14-5-11-4-12-14)7(15)6-3-13-16-8(6)10/h3-5H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,15,13,6,4,10,2,11,14,16,8,12,5,9/E:(1,2)/rA:16nCCCCOCCNOCNNCNCN/rB:s1;s2;s2;d4;s4;s6;d7;s8;d6s9;s10;s2;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.79559
Area:375.234
Solvation:-4.58527
Coulombic:-35.4345
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.216
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.44
LogP (Chemaxon):-0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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