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Chemical ID: 5769096

Chemical ID:

5769096

Name [?]:

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-piperidylmethyl)triazole-4-carbohydrazide

SMILES [?]:

C1CCN(CC1)Cc2c(nnn2c3c(non3)N)C(=O)NN

InChi [?]:

InChI=1/C11H17N9O2/c12-9-10(17-22-16-9)20-7(6-19-4-2-1-3-5-19)8(15-18-20)11(21)14-13/h1-6,13H2,(H2,12,16)(H,14,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,7,8,9,14,13,19,18,22,21,10,15,17,11,4,12,20,16/E:(2,3)(4,5)/rA:22nCCCNCCCCCNNNCCNONNCONN/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d13s16;s14;s9;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₇N₉O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.93809
Area:	471.898
Solvation:	-2.85936
Coulombic:	-59.2365

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.312
H-Bond Donors:	5
H-Bond Acceptors:	5
XLogP:	-0.57
LogP (Chemaxon):	-0.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value