2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine

C111H122N47O5+ — CID 161322933

About 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine

2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine (PubChem CID 161322933) has the molecular formula C111H122N47O5+ and a molecular weight of 2194.52 g/mol. Its IUPAC name is 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine.

Molecular Properties

• Compound Name: 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine
• PubChem CID: 161322933
• Molecular Formula: C111H122N47O5+
• Molecular Weight: 2194.52 g/mol
• Exact Mass: 2193.07
• IUPAC Name: 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine
• SMILES: CCc1cccc2c(-c3cn(Cc4ccn(CCO)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4cc[nH][n+]4CCO)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)cc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn(CC(C)(C)O)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12
• InChI: InChI=1S/2C19H20N8O.C19H22N8O.C19H21N7.C18H20N8O.C17H18N8O/c2*1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-12-5-4-6-14-16(12)21-18(20)22-17(14)15-10-27(25-23-15)9-13-7-8-26(24-13)11-19(2,3)28;1-12(2)26-8-7-14(23-26)10-25-11-17(22-24-25)16-9-18(20)21-19-13(3)5-4-6-15(16)19;1-2-12-4-3-5-14-16(12)20-18(19)21-17(14)15-11-26(24-22-15)10-13-6-7-25(23-13)8-9-27;1-11-3-2-4-13-15(11)20-17(18)21-16(13)14-10-24(23-22-14)9-12-5-6-19-25(12)7-8-26/h2*2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-8,10,28H,9,11H2,1-3H3,(H2,20,21,22);4-9,11-12H,10H2,1-3H3,(H2,20,21);3-7,11,27H,2,8-10H2,1H3,(H2,19,20,21);2-6,10,26H,7-9H2,1H3,(H2,18,20,21)/p+1/t2*14-;;;;/m10..../s1
• InChIKey: JOYTYAQBRPEHJC-IKBGVWIDSA-O
• XLogP: 10.68
• TPSA: 670.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 50
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.52
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine?

The IUPAC name of 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine (CID 161322933) is 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine.

What is the SMILES notation for 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine?

The canonical SMILES for 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine is CCc1cccc2c(-c3cn(Cc4ccn(CCO)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4cc[nH][n+]4CCO)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)cc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn(CC(C)(C)O)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12.

What is the InChIKey of 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine?

The InChIKey is JOYTYAQBRPEHJC-IKBGVWIDSA-O. The full InChI is InChI=1S/2C19H20N8O.C19H22N8O.C19H21N7.C18H20N8O.C17H18N8O/c2*1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-12-5-4-6-14-16(12)21-18(20)22-17(14)15-10-27(25-23-15)9-13-7-8-26(24-13)11-19(2,3)28;1-12(2)26-8-7-14(23-26)10-25-11-17(22-24-25)16-9-18(20)21-19-13(3)5-4-6-15(16)19;1-2-12-4-3-5-14-16(12)20-18(19)21-17(14)15-11-26(24-22-15)10-13-6-7-25(23-13)8-9-27;1-11-3-2-4-13-15(11)20-17(18)21-16(13)14-10-24(23-22-14)9-12-5-6-19-25(12)7-8-26/h2*2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-8,10,28H,9,11H2,1-3H3,(H2,20,21,22);4-9,11-12H,10H2,1-3H3,(H2,20,21);3-7,11,27H,2,8-10H2,1H3,(H2,19,20,21);2-6,10,26H,7-9H2,1H3,(H2,18,20,21)/p+1/t2*14-;;;;/m10..../s1.

What are the key properties of 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine?

2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine has a molecular weight of 2194.52 g/mol, XLogP of 10.68, 28 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-(2-amino-8-ethylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]ethanol;2-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-1H-pyrazol-2-ium-2-yl]ethanol;1-[3-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]pyrazol-1-yl]-2-methylpropan-2-ol;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinolin-2-amine is sourced from PubChem (CID 161322933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).