4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

C15H24N6O — CID 56864149

IUPAC4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(Cc3nccn3C)CC2)n[nH]c1=O
InChIInChI=1S/C15H24N6O/c1-3-21-13(17-18-15(21)22)10-12-4-7-20(8-5-12)11-14-16-6-9-19(14)2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,18,22)
InChIKeyBPISPLMWSGGWDD-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.78
Rot. Bonds5

About 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 56864149) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID56864149
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(Cc3nccn3C)CC2)n[nH]c1=O
InChIInChI=1S/C15H24N6O/c1-3-21-13(17-18-15(21)22)10-12-4-7-20(8-5-12)11-14-16-6-9-19(14)2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,18,22)
InChIKeyBPISPLMWSGGWDD-UHFFFAOYSA-N
XLogP0.78
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-ethyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56861483
4-ethyl-3-[[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56862353
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
4-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 95147190
4-ethyl-3-[[1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 95134772
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900211
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine
CID 125017389
2-[3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 110271015

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (CID 56864149) is 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is CCn1c(CC2CCN(Cc3nccn3C)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is BPISPLMWSGGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-21-13(17-18-15(21)22)10-12-4-7-20(8-5-12)11-14-16-6-9-19(14)2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 304.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56864149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).