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Chemical ID: 5243509

Chemical ID:

5243509

Name [?]:

2-(4-amino-3,5-diazabicyclo[4.3.0]nona-2,4,10-trien-2-yl)-3,5-diazabicyclo[4.3.0]nona-1,3,5-trien-4-amine

SMILES [?]:

C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1

InChi [?]:

InChI=1/C14H16N6/c15-13-17-9-5-1-3-7(9)11(19-13)12-8-4-2-6-10(8)18-14(16)20-12/h1-6H2,(H2,15,17,19)(H2,16,18,20)

InChi Info:

AuxInfo=1/1/N:1,17,2,18,20,16,3,10,4,11,8,9,6,13,19,15,5,12,7,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/gE:(1,2)/rA:20nCCCCNCNCCCCNCNNCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s13;s11;s16;s10s17;s6;s1s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₆
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.0248
Area:	429.493
Solvation:	-1.71252
Coulombic:	-55.5029

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	268.317
H-Bond Donors:	4
H-Bond Acceptors:	2
XLogP:	-0.35
LogP (Chemaxon):	1.58

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