2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C20H25N5O3 — CID 160730668

IUPAC2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCOc1cc(Cc2nc3c(N(C)C4CCOCC4)nccn3n2)cc(OC)c1
InChIInChI=1S/C20H25N5O3/c1-24(15-4-8-28-9-5-15)19-20-22-18(23-25(20)7-6-21-19)12-14-10-16(26-2)13-17(11-14)27-3/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3
InChIKeyRUHHJLNTLQZPNZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.35
Rot. Bonds6

About 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 160730668) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID160730668
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCOc1cc(Cc2nc3c(N(C)C4CCOCC4)nccn3n2)cc(OC)c1
InChIInChI=1S/C20H25N5O3/c1-24(15-4-8-28-9-5-15)19-20-22-18(23-25(20)7-6-21-19)12-14-10-16(26-2)13-17(11-14)27-3/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3
InChIKeyRUHHJLNTLQZPNZ-UHFFFAOYSA-N
XLogP2.35
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 160730668) is 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is COc1cc(Cc2nc3c(N(C)C4CCOCC4)nccn3n2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is RUHHJLNTLQZPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(15-4-8-28-9-5-15)19-20-22-18(23-25(20)7-6-21-19)12-14-10-16(26-2)13-17(11-14)27-3/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 383.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 160730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).