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Chemical ID: 4805670

Chemical ID:

4805670

Name [?]:

(4,8-dimethyl-7-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)hydrazine

SMILES [?]:

Cc1cc(n2c(n1)c(c(n2)C)c3ccccc3)NN

InChi [?]:

InChI=1/C14H15N5/c1-9-8-12(17-15)19-14(16-9)13(10(2)18-19)11-6-4-3-5-7-11/h3-8,17H,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,11,15,14,16,13,17,3,2,9,12,4,8,6,19,7,18,10,5/E:(4,5)(6,7)/rA:19nCCCCNCNCCNCCCCCCCNN/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s9;s8;s12;d13;s14;d15;d12s16;s4;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅N₅
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75626
Area:	440.882
Solvation:	-2.2658
Coulombic:	-29.6208

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	253.303
H-Bond Donors:	3
H-Bond Acceptors:	2
XLogP:	1.7
LogP (Chemaxon):	2.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value