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

C15H20N4O — CID 102791576

IUPAC8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(Cc3ccc(OC)cc3)nnc21
InChIInChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)9-8-16-13)10-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyPHKVASUKASGVOF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds4

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

8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791576) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791576
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c(Cc3ccc(OC)cc3)nnc21
InChIInChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)9-8-16-13)10-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyPHKVASUKASGVOF-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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791576) is 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c(Cc3ccc(OC)cc3)nnc21.
What is the InChIKey of 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PHKVASUKASGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-15-18-17-14(19(15)9-8-16-13)10-11-4-6-12(20-2)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 8-ethyl-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-3-[(4-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-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).