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Chemical ID: 6509301

Chemical ID:

6509301

Name [?]:

6-phenyl-N-(p-tolyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine

SMILES [?]:

Cc1ccc(cc1)NC2=NC(=NC(N2)c3ccccc3)N

InChi [?]:

InChI=1/C16H17N5/c1-11-7-9-13(10-8-11)18-16-20-14(19-15(17)21-16)12-5-3-2-4-6-12/h2-10,14H,1H3,(H4,17,18,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,18,17,19,16,20,3,7,4,6,2,15,5,13,11,9,21,8,12,14,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21cCCCCCCCNCNCNCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s12;s9s13;s13;s15;d16;s17;d18;d15s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇N₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.92262
Area:	479.604
Solvation:	-2.06749
Coulombic:	-54.6996

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	279.34
H-Bond Donors:	4
H-Bond Acceptors:	5
XLogP:	2.67
LogP (Chemaxon):	4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value