2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride

C52H68Cl4N20O2 — CID 167630600

About 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride

2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 167630600) has the molecular formula C52H68Cl4N20O2 and a molecular weight of 1147.07 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride
• PubChem CID: 167630600
• Molecular Formula: C52H68Cl4N20O2
• Molecular Weight: 1147.07 g/mol
• Exact Mass: 1144.46
• IUPAC Name: 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride
• SMILES: Cl.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1.Nc1cn(C2CCCC2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1
• InChI: InChI=1S/C19H25N7O.C14H15ClN6.C8H13N3.C6H3Cl2N3.C5H11NO.ClH/c27-12-15-7-3-9-25(15)19-22-18(16-8-4-10-26(16)23-19)21-17-11-24(13-20-17)14-5-1-2-6-14;15-14-18-13(11-6-3-7-21(11)19-14)17-12-8-20(9-16-12)10-4-1-2-5-10;9-8-5-11(6-10-8)7-3-1-2-4-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;/h4,8,10-11,13-15,27H,1-3,5-7,9,12H2,(H,21,22,23);3,6-10H,1-2,4-5H2,(H,17,18,19);5-7H,1-4,9H2;1-3H;5-7H,1-4H2;1H/t15-;;;;5-;/m0...0./s1
• InChIKey: ANBOCZVVKZGPQE-YIDYHAITSA-N
• XLogP: 9.95
• TPSA: 249.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1147.07
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride?

The IUPAC name of 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride (CID 167630600) is 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride.

What is the SMILES notation for 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride?

The canonical SMILES for 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride is Cl.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1.Nc1cn(C2CCCC2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1.

What is the InChIKey of 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride?

The InChIKey is ANBOCZVVKZGPQE-YIDYHAITSA-N. The full InChI is InChI=1S/C19H25N7O.C14H15ClN6.C8H13N3.C6H3Cl2N3.C5H11NO.ClH/c27-12-15-7-3-9-25(15)19-22-18(16-8-4-10-26(16)23-19)21-17-11-24(13-20-17)14-5-1-2-6-14;15-14-18-13(11-6-3-7-21(11)19-14)17-12-8-20(9-16-12)10-4-1-2-5-10;9-8-5-11(6-10-8)7-3-1-2-4-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;/h4,8,10-11,13-15,27H,1-3,5-7,9,12H2,(H,21,22,23);3,6-10H,1-2,4-5H2,(H,17,18,19);5-7H,1-4,9H2;1-3H;5-7H,1-4H2;1H/t15-;;;;5-;/m0...0./s1.

What are the key properties of 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride?

2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 1147.07 g/mol, XLogP of 9.95, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-cyclopentylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-cyclopentylimidazol-4-amine;[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 167630600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).