2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one

C19H30N6O — CID 56751349

IUPAC2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(Cc3ccccn3)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H30N6O/c1-4-24-18(21-25(19(24)26)13-12-22(2)3)16-8-7-11-23(14-16)15-17-9-5-6-10-20-17/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3
InChIKeyHVCMWDKNBBUHNV-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one

2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 56751349) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID56751349
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(Cc3ccccn3)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H30N6O/c1-4-24-18(21-25(19(24)26)13-12-22(2)3)16-8-7-11-23(14-16)15-17-9-5-6-10-20-17/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3
InChIKeyHVCMWDKNBBUHNV-UHFFFAOYSA-N
XLogP1.40
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one
CID 56719550
(3S)-3-[1-[2-(dimethylamino)ethyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95199325
5-[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-2-[2-(dimethylamino)ethyl]-4-ethyl-1,2,4-triazol-3-one;dihydrochloride
CID 154892214
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95217424
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(7H-purin-6-yl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 56714007
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95206260
4-[[4-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70766412
4-ethyl-2-methyl-5-[1-[(5-propylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-one
CID 56710617
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one (CID 56751349) is 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one is CCn1c(C2CCCN(Cc3ccccn3)C2)nn(CCN(C)C)c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is HVCMWDKNBBUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-24-18(21-25(19(24)26)13-12-22(2)3)16-8-7-11-23(14-16)15-17-9-5-6-10-20-17/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one?
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 358.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56751349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).