2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone

C15H15N5O — CID 105112201

IUPAC2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
SMILESCCCn1ncnc1CC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N5O/c1-2-8-20-14(18-10-19-20)9-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,10H,2,8-9H2,1H3
InChIKeyNFDZEMLVEBQDTI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone

2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone (PubChem CID 105112201) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
PubChem CID105112201
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
SMILESCCCn1ncnc1CC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N5O/c1-2-8-20-14(18-10-19-20)9-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,10H,2,8-9H2,1H3
InChIKeyNFDZEMLVEBQDTI-UHFFFAOYSA-N
XLogP2.06
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone (CID 105112201) is 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone is CCCn1ncnc1CC(=O)c1cccc2nccnc12.
What is the InChIKey of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The InChIKey is NFDZEMLVEBQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-8-20-14(18-10-19-20)9-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone has a molecular weight of 281.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105112201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).