5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride

C75H96Cl6N36OS5 — CID 158086026

IUPAC5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C14H18N6S.2C13H16N6S.C12H14N6O.C12H14N6S.C11H12N6S.6ClH/c15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;/h5,7-10H,1-4,6H2,(H3,15,16,17);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);6*1H
InChIKeyJTMDLTSITYPQJG-UHFFFAOYSA-N
MW1890.90 g/mol
LogP11.91
Rot. Bonds33

About 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride

5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride (PubChem CID 158086026) has the molecular formula C75H96Cl6N36OS5 and a molecular weight of 1890.90 g/mol. Its IUPAC name is 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride.

Molecular Properties

Compound Name5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride
PubChem CID158086026
Molecular FormulaC75H96Cl6N36OS5
Molecular Weight1890.90 g/mol
Exact Mass1886.53
IUPAC Name5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C14H18N6S.2C13H16N6S.C12H14N6O.C12H14N6S.C11H12N6S.6ClH/c15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;/h5,7-10H,1-4,6H2,(H3,15,16,17);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);6*1H
InChIKeyJTMDLTSITYPQJG-UHFFFAOYSA-N
XLogP11.91
TPSA525.60 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.90
LogP ≤ 511.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride with MolForge

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Related Compounds

(2-furylmethyl)(1H-imidazol-4-ylmethyl)(3-thienylmethyl)amine
CID 46990875
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
2-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1H-imidazole
CID 141207267
2-(azidomethyl)furan;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;methane;5-pent-4-ynyl-1H-imidazol-2-amine;dihydrochloride
CID 157273133
CID 157346253
CID 157346253
2-(azidomethyl)furan;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-prop-2-ynyl-1H-imidazol-2-amine;dihydrochloride
CID 157842960
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-[[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(1H-indol-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 157977275
5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;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-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride
CID 158057182
1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
CID 158327625
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
2-(azidomethyl)furan;5-but-3-ynyl-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;dihydrochloride
CID 158736459
CID 158988715
CID 158988715

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride?
The IUPAC name of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride (CID 158086026) is 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride.
What is the SMILES notation for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride?
The canonical SMILES for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1.
What is the InChIKey of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride?
The InChIKey is JTMDLTSITYPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S.2C13H16N6S.C12H14N6O.C12H14N6S.C11H12N6S.6ClH/c15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;/h5,7-10H,1-4,6H2,(H3,15,16,17);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);6*1H.
What are the key properties of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride?
5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride has a molecular weight of 1890.90 g/mol, XLogP of 11.91, 33 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride is sourced from PubChem (CID 158086026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).