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

C15H16N4O — CID 62586279

IUPAC8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc2oc(-c3nnc4n3CCNC4C)cc2c1
InChIInChI=1S/C15H16N4O/c1-9-3-4-12-11(7-9)8-13(20-12)15-18-17-14-10(2)16-5-6-19(14)15/h3-4,7-8,10,16H,5-6H2,1-2H3
InChIKeyVNVJCMVMYUWWCN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds1

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

8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62586279) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62586279
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc2oc(-c3nnc4n3CCNC4C)cc2c1
InChIInChI=1S/C15H16N4O/c1-9-3-4-12-11(7-9)8-13(20-12)15-18-17-14-10(2)16-5-6-19(14)15/h3-4,7-8,10,16H,5-6H2,1-2H3
InChIKeyVNVJCMVMYUWWCN-UHFFFAOYSA-N
XLogP2.66
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62586279) is 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc2oc(-c3nnc4n3CCNC4C)cc2c1.
What is the InChIKey of 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VNVJCMVMYUWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-3-4-12-11(7-9)8-13(20-12)15-18-17-14-10(2)16-5-6-19(14)15/h3-4,7-8,10,16H,5-6H2,1-2H3.
What are the key properties of 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 268.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62586279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).