6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine

C40H56Br3N11O4 — CID 163637567

About 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine (PubChem CID 163637567) has the molecular formula C40H56Br3N11O4 and a molecular weight of 994.67 g/mol. Its IUPAC name is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine
• PubChem CID: 163637567
• Molecular Formula: C40H56Br3N11O4
• Molecular Weight: 994.67 g/mol
• Exact Mass: 991.21
• IUPAC Name: 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine
• SMILES: CCN(CC)CC.CCc1nc2c(Br)nc(Br)c(C)n2n1.CCc1nc2c(NCc3ccc(OC)cc3OC)nc(Br)c(C)n2n1.COc1ccc(CN)c(OC)c1
• InChI: InChI=1S/C17H20BrN5O2.C9H13NO2.C8H8Br2N4.C6H15N/c1-5-14-20-17-16(21-15(18)10(2)23(17)22-14)19-9-11-6-7-12(24-3)8-13(11)25-4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-5-11-8-7(10)12-6(9)4(2)14(8)13-5;1-4-7(5-2)6-3/h6-8H,5,9H2,1-4H3,(H,19,21);3-5H,6,10H2,1-2H3;3H2,1-2H3;4-6H2,1-3H3
• InChIKey: IBMUXSFXQVJBNB-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 164.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	994.67
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?

The IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine (CID 163637567) is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine.

What is the SMILES notation for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?

The canonical SMILES for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine is CCN(CC)CC.CCc1nc2c(Br)nc(Br)c(C)n2n1.CCc1nc2c(NCc3ccc(OC)cc3OC)nc(Br)c(C)n2n1.COc1ccc(CN)c(OC)c1.

What is the InChIKey of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?

The InChIKey is IBMUXSFXQVJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2.C9H13NO2.C8H8Br2N4.C6H15N/c1-5-14-20-17-16(21-15(18)10(2)23(17)22-14)19-9-11-6-7-12(24-3)8-13(11)25-4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-5-11-8-7(10)12-6(9)4(2)14(8)13-5;1-4-7(5-2)6-3/h6-8H,5,9H2,1-4H3,(H,19,21);3-5H,6,10H2,1-2H3;3H2,1-2H3;4-6H2,1-3H3.

What are the key properties of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine?

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine has a molecular weight of 994.67 g/mol, XLogP of 8.42, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;6,8-dibromo-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine;N,N-diethylethanamine;(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 163637567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).