3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine

C17H26N6O — CID 72841145

IUPAC3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C17H26N6O/c1-21-16(12-22-8-6-18-13-22)19-20-17(21)14-3-2-7-23(11-14)15-4-9-24-10-5-15/h6,8,13-15H,2-5,7,9-12H2,1H3
InChIKeyUZKZFEJOBZQUNA-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.42
Rot. Bonds4

About 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine

3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine (PubChem CID 72841145) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
PubChem CID72841145
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C17H26N6O/c1-21-16(12-22-8-6-18-13-22)19-20-17(21)14-3-2-7-23(11-14)15-4-9-24-10-5-15/h6,8,13-15H,2-5,7,9-12H2,1H3
InChIKeyUZKZFEJOBZQUNA-UHFFFAOYSA-N
XLogP1.42
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72920454
2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrazine
CID 72935848
2-[3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 110256935
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine
CID 95869615
1-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-methylimidazol-1-yl)methyl]-3-(oxan-4-yl)-1,2,4-triazole
CID 97931960
4-(4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)butan-1-ol
CID 72850986
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 72851856
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 53609368

Frequently Asked Questions

What is the IUPAC name of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The IUPAC name of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine (CID 72841145) is 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine is Cn1c(Cn2ccnc2)nnc1C1CCCN(C2CCOCC2)C1.
What is the InChIKey of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
The InChIKey is UZKZFEJOBZQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21-16(12-22-8-6-18-13-22)19-20-17(21)14-3-2-7-23(11-14)15-4-9-24-10-5-15/h6,8,13-15H,2-5,7,9-12H2,1H3.
What are the key properties of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine?
3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine has a molecular weight of 330.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 72841145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).