3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one

C17H20N6O2 — CID 128894649

IUPAC3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(C(=O)N3CCC(c4ncn[nH]4)C3)ccc2N1C
InChIInChI=1S/C17H20N6O2/c1-10-16(24)20-13-7-11(3-4-14(13)22(10)2)17(25)23-6-5-12(8-23)15-18-9-19-21-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,20,24)(H,18,19,21)
InChIKeyCPJFBTDBUZJDCT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.21
Rot. Bonds2

About 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one

3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 128894649) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID128894649
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(C(=O)N3CCC(c4ncn[nH]4)C3)ccc2N1C
InChIInChI=1S/C17H20N6O2/c1-10-16(24)20-13-7-11(3-4-14(13)22(10)2)17(25)23-6-5-12(8-23)15-18-9-19-21-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,20,24)(H,18,19,21)
InChIKeyCPJFBTDBUZJDCT-UHFFFAOYSA-N
XLogP1.21
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

(3-chloro-4-pyrrolidin-1-ylphenyl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 90653954
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738
7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 138996436
(2-methyl-5-methylsulfanylphenyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 126819382
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166202000
(1-hydroxycyclohexyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128894652
(3-chloro-4-nitrophenyl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75509471
[3-(4-tert-butylphenyl)azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 170636393
2-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1-benzothiophene-4-carboxylic acid
CID 166402862
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 124572044
1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 146128564

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 128894649) is 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2cc(C(=O)N3CCC(c4ncn[nH]4)C3)ccc2N1C.
What is the InChIKey of 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is CPJFBTDBUZJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-16(24)20-13-7-11(3-4-14(13)22(10)2)17(25)23-6-5-12(8-23)15-18-9-19-21-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,20,24)(H,18,19,21).
What are the key properties of 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one?
3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 340.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 128894649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).