ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 5163434

Chemical ID:

5163434

Name [?]:

(6-hydrazino-2-methyl-5-nitro-pyrimidin-4-yl)hydrazine

SMILES [?]:

Cc1nc(c(c(n1)NN)[N+](=O)[O-])NN

InChi [?]:

InChI=1/C5H9N7O2/c1-2-8-4(10-6)3(12(13)14)5(9-2)11-7/h6-7H2,1H3,(H2,8,9,10,11)

InChi Info:

AuxInfo=1/1/N:1,2,5,4,6,14,9,3,7,13,8,10,11,12/E:(4,5)(6,7)(8,9)(10,11)(13,14)/CRV:12.5/rA:14nCCNCCCNNNN+OO-NN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;d10;s10;s4;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₅H₉N₇O₂
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	0

ZAP Information [?]

Total:	2.68286
Area:	360.809
Solvation:	-6.33737
Coulombic:	-61.0335

Bond Count [?]

All:	14
Single:	10
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	199.171
H-Bond Donors:	6
H-Bond Acceptors:	7
XLogP:	-0.37
LogP (Chemaxon):	1.89

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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