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

C16H20N4O — CID 102791808

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(C3Cc4ccccc4O3)nnc21
InChIInChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)8-7-17-14)13-9-11-5-3-4-6-12(11)21-13/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyNYSHEAPLRBCSBG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.25
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791808) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791808
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(C3Cc4ccccc4O3)nnc21
InChIInChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)8-7-17-14)13-9-11-5-3-4-6-12(11)21-13/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyNYSHEAPLRBCSBG-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791754
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
3-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390050
3-(2,3-dihydro-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495388
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-triazole
CID 113301154
3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole
CID 115393448
2-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiane 1,1-dioxide
CID 102791668
3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791801
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 61278537
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791808) is 3-(2,3-dihydro-1-benzofuran-2-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-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C1NCCn2c(C3Cc4ccccc4O3)nnc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NYSHEAPLRBCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)14-16-19-18-15(20(16)8-7-17-14)13-9-11-5-3-4-6-12(11)21-13/h3-6,10,13-14,17H,7-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,3-dihydro-1-benzofuran-2-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 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).