N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C112H127Cl2F2N31O10 — CID 160660886

About N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 160660886) has the molecular formula C112H127Cl2F2N31O10 and a molecular weight of 2176.36 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 160660886
• Molecular Formula: C112H127Cl2F2N31O10
• Molecular Weight: 2176.36 g/mol
• Exact Mass: 2173.97
• IUPAC Name: N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: COc1ccc(CNc2nc3nc(C)cc(C4CCOC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)OC(F)(F)O4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Cl)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccccc3Cl)nc2n1.Cc1cc(CNc2nc3nc(C)cc(C4(C)CCOCC4)n3n2)ccn1
• InChI: InChI=1S/C20H23N5O2.C19H19F2N5O3.C19H24N6O.2C18H20ClN5O.C18H21N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18;1-11-8-14(13-4-6-27-7-5-13)26-18(23-11)24-17(25-26)22-10-12-2-3-15-16(9-12)29-19(20,21)28-15;1-13-10-15(4-7-20-13)12-21-17-23-18-22-14(2)11-16(25(18)24-17)19(3)5-8-26-9-6-19;1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13;1-12-10-16(13-6-8-25-9-7-13)24-18(21-12)22-17(23-24)20-11-14-4-2-3-5-15(14)19;1-12-9-16(14-7-8-25-11-14)23-18(20-12)21-17(22-23)19-10-13-3-5-15(24-2)6-4-13/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24);2-3,8-9,13H,4-7,10H2,1H3,(H,22,25);4,7,10-11H,5-6,8-9,12H2,1-3H3,(H,21,24);2-4,9-10,14H,5-8,11H2,1H3,(H,20,23);2-5,10,13H,6-9,11H2,1H3,(H,20,23);3-6,9,14H,7-8,10-11H2,1-2H3,(H,19,22)
• InChIKey: RLQSYJBIDJSOBQ-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 435.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.36
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 160660886) is N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4CCOC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)OC(F)(F)O4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Cl)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccccc3Cl)nc2n1.Cc1cc(CNc2nc3nc(C)cc(C4(C)CCOCC4)n3n2)ccn1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is RLQSYJBIDJSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C19H19F2N5O3.C19H24N6O.2C18H20ClN5O.C18H21N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18;1-11-8-14(13-4-6-27-7-5-13)26-18(23-11)24-17(25-26)22-10-12-2-3-15-16(9-12)29-19(20,21)28-15;1-13-10-15(4-7-20-13)12-21-17-23-18-22-14(2)11-16(25(18)24-17)19(3)5-8-26-9-6-19;1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13;1-12-10-16(13-6-8-25-9-7-13)24-18(21-12)22-17(23-24)20-11-14-4-2-3-5-15(14)19;1-12-9-16(14-7-8-25-11-14)23-18(20-12)21-17(22-23)19-10-13-3-5-15(24-2)6-4-13/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24);2-3,8-9,13H,4-7,10H2,1H3,(H,22,25);4,7,10-11H,5-6,8-9,12H2,1-3H3,(H,21,24);2-4,9-10,14H,5-8,11H2,1H3,(H,20,23);2-5,10,13H,6-9,11H2,1H3,(H,20,23);3-6,9,14H,7-8,10-11H2,1-2H3,(H,19,22).

What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2176.36 g/mol, XLogP of 18.69, 25 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 160660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).