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Chemical ID: 4126264

CC1CCCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN=CC4CCCCC4

Chemical ID:

4126264

Name [?]:

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(cyclohexylmethyleneamino)-5-[(2-methyl-1-piperidyl)methyl]triazole-4-carboxamide

SMILES [?]:

CC1CCCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN=CC4CCCCC4

InChi [?]:

InChI=1/C19H29N9O2/c1-13-7-5-6-10-27(13)12-15-16(22-26-28(15)18-17(20)24-30-25-18)19(29)23-21-11-14-8-3-2-4-9-14/h11,13-14H,2-10,12H2,1H3,(H2,20,24)(H,23,29)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,4,5,3,26,30,6,24,8,2,25,9,10,15,14,20,19,23,11,22,16,18,12,7,13,21,17/E:(3,4)(8,9)/rA:30cCCCCCCNCCCNNNCCNONNCONNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d14s17;s15;s10;d20;s20;s22;w23;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₉N₉O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	2

ZAP Information [?]

Total:	12.5567
Area:	624.329
Solvation:	-3.05157
Coulombic:	-51.4893

Bond Count [?]

All:	33
Single:	27
Double:	6
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	415.493
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	3.98
LogP (Chemaxon):	1.76

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value