8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H20N4O — CID 102791611

IUPAC8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(Cc3cccc(OC)c3)nnc21
InChIInChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)8-7-16-13)10-11-5-4-6-12(9-11)20-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3
InChIKeyYOYDLAZEGNZIDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds4

About 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791611) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791611
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(Cc3cccc(OC)c3)nnc21
InChIInChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)8-7-16-13)10-11-5-4-6-12(9-11)20-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3
InChIKeyYOYDLAZEGNZIDF-UHFFFAOYSA-N
XLogP1.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791576
3-[(3-bromophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586456
8-ethyl-3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791548
8-ethyl-3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791537
[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392071
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791572
3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103170900
8-ethyl-3-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791577
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
3-[(3-methoxyphenyl)methyl]-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152913
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791611) is 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(Cc3cccc(OC)c3)nnc21.
What is the InChIKey of 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YOYDLAZEGNZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)8-7-16-13)10-11-5-4-6-12(9-11)20-2/h4-6,9,13,16H,3,7-8,10H2,1-2H3.
What are the key properties of 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 272.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).