[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

C60H70Cl4N18O7 — CID 167535044

About [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167535044) has the molecular formula C60H70Cl4N18O7 and a molecular weight of 1297.15 g/mol. Its IUPAC name is [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

Molecular Properties

• Compound Name: [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• PubChem CID: 167535044
• Molecular Formula: C60H70Cl4N18O7
• Molecular Weight: 1297.15 g/mol
• Exact Mass: 1294.44
• IUPAC Name: [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4C[C@@H]5C[C@@H]5[C@@H]4CO)c4cccn4n3)c2)cc(C)c1C.Cl.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1NC[C@@H]2C[C@@H]21.OC[C@H]1[C@H]2C[C@H]2CN1c1nc(Cl)nn2cccc12
• InChI: InChI=1S/C24H27N7O2.C12H13ClN4O.C12H15N3O3.C6H3Cl2N3.C6H11NO.ClH/c1-14-7-17(9-21(33-3)15(14)2)29-11-22(25-13-29)26-24-27-23(19-5-4-6-31(19)28-24)30-10-16-8-18(16)20(30)12-32;13-12-14-11(9-2-1-3-17(9)15-12)16-5-7-4-8(7)10(16)6-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-5-4-2-1-3-11(4)10-6(8)9-5;8-3-6-5-1-4(5)2-7-6;/h4-7,9,11,13,16,18,20,32H,8,10,12H2,1-3H3,(H,26,28);1-3,7-8,10,18H,4-6H2;4-7H,13H2,1-3H3;1-3H;4-8H,1-3H2;1H/t16-,18-,20-;7-,8-,10-;;;4-,5-,6-;/m00..0./s1
• InChIKey: RQCHRJZWYXXQGJ-ZYWPFUSVSA-N
• XLogP: 7.83
• TPSA: 280.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1297.15
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The IUPAC name of [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167535044) is [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

What is the SMILES notation for [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The canonical SMILES for [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4C[C@@H]5C[C@@H]5[C@@H]4CO)c4cccn4n3)c2)cc(C)c1C.Cl.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1NC[C@@H]2C[C@@H]21.OC[C@H]1[C@H]2C[C@H]2CN1c1nc(Cl)nn2cccc12.

What is the InChIKey of [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The InChIKey is RQCHRJZWYXXQGJ-ZYWPFUSVSA-N. The full InChI is InChI=1S/C24H27N7O2.C12H13ClN4O.C12H15N3O3.C6H3Cl2N3.C6H11NO.ClH/c1-14-7-17(9-21(33-3)15(14)2)29-11-22(25-13-29)26-24-27-23(19-5-4-6-31(19)28-24)30-10-16-8-18(16)20(30)12-32;13-12-14-11(9-2-1-3-17(9)15-12)16-5-7-4-8(7)10(16)6-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-5-4-2-1-3-11(4)10-6(8)9-5;8-3-6-5-1-4(5)2-7-6;/h4-7,9,11,13,16,18,20,32H,8,10,12H2,1-3H3,(H,26,28);1-3,7-8,10,18H,4-6H2;4-7H,13H2,1-3H3;1-3H;4-8H,1-3H2;1H/t16-,18-,20-;7-,8-,10-;;;4-,5-,6-;/m00..0./s1.

What are the key properties of [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride has a molecular weight of 1297.15 g/mol, XLogP of 7.83, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;[(1S,2R,5R)-3-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1S,2R,5R)-3-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 167535044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).