2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol

C94H86N30O3 — CID 161196781

About 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol

2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol (PubChem CID 161196781) has the molecular formula C94H86N30O3 and a molecular weight of 1683.93 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol
• PubChem CID: 161196781
• Molecular Formula: C94H86N30O3
• Molecular Weight: 1683.93 g/mol
• Exact Mass: 1682.75
• IUPAC Name: 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol
• SMILES: COc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.COc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(C)(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C3CC3)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3O)nc3ccccc23)n[nH]1
• InChI: InChI=1S/C21H22N6.C20H18N6.2C18H16N6O.C17H14N6O/c1-13-22-20(27-26-13)25-19-15-10-6-8-12-17(15)23-18(24-19)14-9-5-7-11-16(14)21(2,3)4;1-12-21-20(26-25-12)24-19-16-8-4-5-9-17(16)22-18(23-19)15-7-3-2-6-14(15)13-10-11-13;2*1-11-19-18(24-23-11)22-16-12-7-3-5-9-14(12)20-17(21-16)13-8-4-6-10-15(13)25-2;1-10-18-17(23-22-10)21-15-11-6-2-4-8-13(11)19-16(20-15)12-7-3-5-9-14(12)24/h5-12H,1-4H3,(H2,22,23,24,25,26,27);2-9,13H,10-11H2,1H3,(H2,21,22,23,24,25,26);2*3-10H,1-2H3,(H2,19,20,21,22,23,24);2-9,24H,1H3,(H2,18,19,20,21,22,23)
• InChIKey: UULJOPGEBGTBLK-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 435.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1683.93
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol?

The IUPAC name of 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol (CID 161196781) is 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol.

What is the SMILES notation for 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol?

The canonical SMILES for 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol is COc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.COc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(C)(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C3CC3)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3O)nc3ccccc23)n[nH]1.

What is the InChIKey of 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol?

The InChIKey is UULJOPGEBGTBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6.C20H18N6.2C18H16N6O.C17H14N6O/c1-13-22-20(27-26-13)25-19-15-10-6-8-12-17(15)23-18(24-19)14-9-5-7-11-16(14)21(2,3)4;1-12-21-20(26-25-12)24-19-16-8-4-5-9-17(16)22-18(23-19)15-7-3-2-6-14(15)13-10-11-13;2*1-11-19-18(24-23-11)22-16-12-7-3-5-9-14(12)20-17(21-16)13-8-4-6-10-15(13)25-2;1-10-18-17(23-22-10)21-15-11-6-2-4-8-13(11)19-16(20-15)12-7-3-5-9-14(12)24/h5-12H,1-4H3,(H2,22,23,24,25,26,27);2-9,13H,10-11H2,1H3,(H2,21,22,23,24,25,26);2*3-10H,1-2H3,(H2,19,20,21,22,23,24);2-9,24H,1H3,(H2,18,19,20,21,22,23).

What are the key properties of 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol?

2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol has a molecular weight of 1683.93 g/mol, XLogP of 19.23, 18 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-tert-butylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;bis(2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine);2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 161196781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).