N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C21H21N7O2 — CID 66583455

IUPACN-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCCOc1ccc(Nc2nc3c(-c4cnc5c(c4)OCCN5C)nccn3n2)cc1
InChIInChI=1S/C21H21N7O2/c1-3-29-16-6-4-15(5-7-16)24-21-25-20-18(22-8-9-28(20)26-21)14-12-17-19(23-13-14)27(2)10-11-30-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyBNZHLEMGWACVIX-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.16
Rot. Bonds5

About N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 66583455) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID66583455
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCCOc1ccc(Nc2nc3c(-c4cnc5c(c4)OCCN5C)nccn3n2)cc1
InChIInChI=1S/C21H21N7O2/c1-3-29-16-6-4-15(5-7-16)24-21-25-20-18(22-8-9-28(20)26-21)14-12-17-19(23-13-14)27(2)10-11-30-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyBNZHLEMGWACVIX-UHFFFAOYSA-N
XLogP3.16
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 66583455) is N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is CCOc1ccc(Nc2nc3c(-c4cnc5c(c4)OCCN5C)nccn3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is BNZHLEMGWACVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-3-29-16-6-4-15(5-7-16)24-21-25-20-18(22-8-9-28(20)26-21)14-12-17-19(23-13-14)27(2)10-11-30-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 403.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 66583455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).