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

C17H28N6 — CID 72905123

IUPAC4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine
SMILESCCCN1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1
InChIInChI=1S/C17H28N6/c1-4-9-21-10-6-15(7-11-21)17-20-19-16(23(17)5-2)13-22-12-8-18-14(22)3/h8,12,15H,4-7,9-11,13H2,1-3H3
InChIKeyVMXPGRHJVGBFIK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.44
Rot. Bonds6

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

4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine (PubChem CID 72905123) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine
PubChem CID72905123
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine
SMILESCCCN1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1
InChIInChI=1S/C17H28N6/c1-4-9-21-10-6-15(7-11-21)17-20-19-16(23(17)5-2)13-22-12-8-18-14(22)3/h8,12,15H,4-7,9-11,13H2,1-3H3
InChIKeyVMXPGRHJVGBFIK-UHFFFAOYSA-N
XLogP2.44
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 72859690
4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72842227
1-cycloheptyl-4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72864739
2-cyclopropyl-1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72872849
2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72899691
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 72839586
3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72891700
propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72886702
4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72934485
2-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 72841406
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72904054
4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine
CID 72927454

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine?
The IUPAC name of 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine (CID 72905123) is 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine.
What is the SMILES notation for 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine?
The canonical SMILES for 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine is CCCN1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1.
What is the InChIKey of 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine?
The InChIKey is VMXPGRHJVGBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-4-9-21-10-6-15(7-11-21)17-20-19-16(23(17)5-2)13-22-12-8-18-14(22)3/h8,12,15H,4-7,9-11,13H2,1-3H3.
What are the key properties of 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine?
4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine has a molecular weight of 316.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine is sourced from PubChem (CID 72905123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).