2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one

C21H23N5O2 — CID 70723539

IUPAC2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
SMILESCc1nn(CC(=O)N2CCc3ncccc3C2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-16-23-26(21(28)25(16)13-9-17-6-3-2-4-7-17)15-20(27)24-12-10-19-18(14-24)8-5-11-22-19/h2-8,11H,9-10,12-15H2,1H3
InChIKeyWTLAPMWFAYDZOB-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one

2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one (PubChem CID 70723539) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
PubChem CID70723539
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
SMILESCc1nn(CC(=O)N2CCc3ncccc3C2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-16-23-26(21(28)25(16)13-9-17-6-3-2-4-7-17)15-20(27)24-12-10-19-18(14-24)8-5-11-22-19/h2-8,11H,9-10,12-15H2,1H3
InChIKeyWTLAPMWFAYDZOB-UHFFFAOYSA-N
XLogP1.58
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one (CID 70723539) is 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one is Cc1nn(CC(=O)N2CCc3ncccc3C2)c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one?
The InChIKey is WTLAPMWFAYDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-23-26(21(28)25(16)13-9-17-6-3-2-4-7-17)15-20(27)24-12-10-19-18(14-24)8-5-11-22-19/h2-8,11H,9-10,12-15H2,1H3.
What are the key properties of 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one?
2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one has a molecular weight of 377.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 70723539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).