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

C14H14N6 — CID 62876095

IUPAC6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline
SMILESCC1NCCn2c(-c3ccc4nccnc4c3)nnc21
InChIInChI=1S/C14H14N6/c1-9-13-18-19-14(20(13)7-6-15-9)10-2-3-11-12(8-10)17-5-4-16-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyBTCVWAIOISGFHZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.55
Rot. Bonds1

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

6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline (PubChem CID 62876095) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline.

Molecular Properties

Compound Name6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline
PubChem CID62876095
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline
SMILESCC1NCCn2c(-c3ccc4nccnc4c3)nnc21
InChIInChI=1S/C14H14N6/c1-9-13-18-19-14(20(13)7-6-15-9)10-2-3-11-12(8-10)17-5-4-16-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyBTCVWAIOISGFHZ-UHFFFAOYSA-N
XLogP1.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline?
The IUPAC name of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline (CID 62876095) is 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline.
What is the SMILES notation for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline?
The canonical SMILES for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline is CC1NCCn2c(-c3ccc4nccnc4c3)nnc21.
What is the InChIKey of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline?
The InChIKey is BTCVWAIOISGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-13-18-19-14(20(13)7-6-15-9)10-2-3-11-12(8-10)17-5-4-16-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline?
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline has a molecular weight of 266.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline is sourced from PubChem (CID 62876095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).