5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride

C95H119Cl7N42O5 — CID 158563257

IUPAC5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride
SMILESC/C(=C\c1ccccc1)Cn1cc(CCCc2cnc(N)[nH]2)nn1.C/C(=C\c1ccccc1)Cn1cc(CCc2cnc(N)[nH]2)nn1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1
InChIInChI=1S/C18H22N6.C17H20N6.2C13H16N6O.C12H14N6O.2C11H12N6O.7ClH/c1-14(10-15-6-3-2-4-7-15)12-24-13-17(22-23-24)9-5-8-16-11-20-18(19)21-16;1-13(9-14-5-3-2-4-6-14)11-23-12-16(21-22-23)8-7-15-10-19-17(18)20-15;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;;;;;;;/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3,(H3,19,20,21);2-6,9-10,12H,7-8,11H2,1H3,(H3,18,19,20);2,5-8H,1,3-4,9H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);7*1H/b14-10+;13-9+;;;;;;;;;;;;
InChIKeyTWBOTJDSLRFGHZ-KKNPNGSTSA-N
MW2177.46 g/mol
LogP13.73
Rot. Bonds38

About 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride

5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride (PubChem CID 158563257) has the molecular formula C95H119Cl7N42O5 and a molecular weight of 2177.46 g/mol. Its IUPAC name is 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride.

Molecular Properties

Compound Name5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride
PubChem CID158563257
Molecular FormulaC95H119Cl7N42O5
Molecular Weight2177.46 g/mol
Exact Mass2172.82
IUPAC Name5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride
SMILESC/C(=C\c1ccccc1)Cn1cc(CCCc2cnc(N)[nH]2)nn1.C/C(=C\c1ccccc1)Cn1cc(CCc2cnc(N)[nH]2)nn1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1
InChIInChI=1S/C18H22N6.C17H20N6.2C13H16N6O.C12H14N6O.2C11H12N6O.7ClH/c1-14(10-15-6-3-2-4-7-15)12-24-13-17(22-23-24)9-5-8-16-11-20-18(19)21-16;1-13(9-14-5-3-2-4-6-14)11-23-12-16(21-22-23)8-7-15-10-19-17(18)20-15;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;;;;;;;/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3,(H3,19,20,21);2-6,9-10,12H,7-8,11H2,1H3,(H3,18,19,20);2,5-8H,1,3-4,9H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);7*1H/b14-10+;13-9+;;;;;;;;;;;;
InChIKeyTWBOTJDSLRFGHZ-KKNPNGSTSA-N
XLogP13.73
TPSA663.57 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.46
LogP ≤ 513.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Analyze 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride?
The IUPAC name of 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride (CID 158563257) is 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride.
What is the SMILES notation for 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride?
The canonical SMILES for 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride is C/C(=C\c1ccccc1)Cn1cc(CCCc2cnc(N)[nH]2)nn1.C/C(=C\c1ccccc1)Cn1cc(CCc2cnc(N)[nH]2)nn1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1.
What is the InChIKey of 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride?
The InChIKey is TWBOTJDSLRFGHZ-KKNPNGSTSA-N. The full InChI is InChI=1S/C18H22N6.C17H20N6.2C13H16N6O.C12H14N6O.2C11H12N6O.7ClH/c1-14(10-15-6-3-2-4-7-15)12-24-13-17(22-23-24)9-5-8-16-11-20-18(19)21-16;1-13(9-14-5-3-2-4-6-14)11-23-12-16(21-22-23)8-7-15-10-19-17(18)20-15;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;;;;;;;/h2-4,6-7,10-11,13H,5,8-9,12H2,1H3,(H3,19,20,21);2-6,9-10,12H,7-8,11H2,1H3,(H3,18,19,20);2,5-8H,1,3-4,9H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);7*1H/b14-10+;13-9+;;;;;;;;;;;;.
What are the key properties of 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride?
5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride has a molecular weight of 2177.46 g/mol, XLogP of 13.73, 38 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride is sourced from PubChem (CID 158563257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).