Responsive image

Common name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid

IUPAC name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid

SMILES

C(NC=O)N1CCNCC1

Common name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid

IUPAC name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid

SMILES

C(NC=O)N1CCNCC1

INCHI

InChI=1S/C6H13N3O/c10-6-8-5-9-3-1-7-2-4-9/h6-7H,1-5H2,(H,8,10)

FORMULA

C6H13N3O

Responsive image

Common name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid

IUPAC name

(1E)-N-(piperazin-1-ylmethyl)methanimidic acid





Molecular weight

143.187

clogP

0.191

clogS

-0.276

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

47.86

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02917 triforine Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2oz2_ligand_frag_0.mol2 2oz2 0.485714 -5.48 C1C[NH+](CCN1C(=O)N)C 10
4p6e_ligand_frag_3.mol2 4p6e 0.485714 -5.33 C1CN(C(=O)N)CC[NH+]1C 10
1mem_ligand_1_0.mol2 1mem 0.447368 -5.69 N1(C(=O)NC)CC[NH2+]CC1 10
2oz2_ligand_1_0.mol2 2oz2 0.447368 -5.63 CNC(=O)N1CC[NH+](CC1)C 11
340 , 35