phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone

C19H17N5O — CID 20921326

IUPACphenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
SMILESCCCNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12
InChIInChI=1S/C19H17N5O/c1-2-10-20-18-19-23-21-12-24(19)16-11-14(8-9-15(16)22-18)17(25)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,22)
InChIKeyFPKMORGKFFWRQK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.33
Rot. Bonds5

About phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone

phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone (PubChem CID 20921326) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
PubChem CID20921326
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Namephenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
SMILESCCCNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12
InChIInChI=1S/C19H17N5O/c1-2-10-20-18-19-23-21-12-24(19)16-11-14(8-9-15(16)22-18)17(25)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,22)
InChIKeyFPKMORGKFFWRQK-UHFFFAOYSA-N
XLogP3.33
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone?
The IUPAC name of phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone (CID 20921326) is phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone.
What is the SMILES notation for phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone?
The canonical SMILES for phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone is CCCNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12.
What is the InChIKey of phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone?
The InChIKey is FPKMORGKFFWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-10-20-18-19-23-21-12-24(19)16-11-14(8-9-15(16)22-18)17(25)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,22).
What are the key properties of phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone?
phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone has a molecular weight of 331.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone is sourced from PubChem (CID 20921326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).