4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one

C19H24N6O — CID 56719016

IUPAC4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(c3cnc4ccccc4n3)CC2)nn(C)c1=O
InChIInChI=1S/C19H24N6O/c1-3-25-17(22-23(2)19(25)26)12-14-8-10-24(11-9-14)18-13-20-15-6-4-5-7-16(15)21-18/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyYGRKUDSEBWPELT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.00
Rot. Bonds4

About 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one (PubChem CID 56719016) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
PubChem CID56719016
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(c3cnc4ccccc4n3)CC2)nn(C)c1=O
InChIInChI=1S/C19H24N6O/c1-3-25-17(22-23(2)19(25)26)12-14-8-10-24(11-9-14)18-13-20-15-6-4-5-7-16(15)21-18/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyYGRKUDSEBWPELT-UHFFFAOYSA-N
XLogP2.00
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-amino-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 56706176
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
CID 56717110
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
CID 70740842
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one (CID 56719016) is 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(c3cnc4ccccc4n3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one?
The InChIKey is YGRKUDSEBWPELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-25-17(22-23(2)19(25)26)12-14-8-10-24(11-9-14)18-13-20-15-6-4-5-7-16(15)21-18/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one has a molecular weight of 352.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).