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Common name


cyromazine

Formula


C6H10N6

CAS


66215-27-8

IUPAC name


N-cyclopropyl-1,3,5-triazine-2,4,6-triamine

SMILES


C1CC1N=c1[nH]c(=N)[nH]c(=N)[nH]1

INCHI


InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)

Physicochemical Properties

Molecular weight:

166.184

Molar refractivity:

34.72

Num. bonds:

13

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

6

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

5

Complexity of system:

37.06

Lipophilicity

ALogP:

-2.44

MLogP:

1.46

XLogP:

-1.751

Water Solubility

CLogS:

-2.027

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.154

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

102.74
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.405

QEI:

0.095

Gau:

2.319