3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C16H20N4O — CID 102791660

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(-c3ccc4c(c3)COC4)nnc21
InChIInChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)6-5-17-14)11-3-4-12-8-21-9-13(12)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyDBPPAQPJRIBNLL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.28
Rot. Bonds2

About 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791660) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791660
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(-c3ccc4c(c3)COC4)nnc21
InChIInChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)6-5-17-14)11-3-4-12-8-21-9-13(12)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyDBPPAQPJRIBNLL-UHFFFAOYSA-N
XLogP2.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791660) is 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C1NCCn2c(-c3ccc4c(c3)COC4)nnc21.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DBPPAQPJRIBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)6-5-17-14)11-3-4-12-8-21-9-13(12)7-11/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 284.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).