3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine

C19H26N6O — CID 166194627

IUPAC3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCc1nc(C)n(CC2CCCN(Cc3cn[nH]c3-c3ccc(C)o3)C2)n1
InChIInChI=1S/C19H26N6O/c1-13-6-7-18(26-13)19-17(9-20-22-19)12-24-8-4-5-16(10-24)11-25-15(3)21-14(2)23-25/h6-7,9,16H,4-5,8,10-12H2,1-3H3,(H,20,22)
InChIKeyRKEGFXPERGBCCM-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.10
Rot. Bonds5

About 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine (PubChem CID 166194627) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
PubChem CID166194627
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCc1nc(C)n(CC2CCCN(Cc3cn[nH]c3-c3ccc(C)o3)C2)n1
InChIInChI=1S/C19H26N6O/c1-13-6-7-18(26-13)19-17(9-20-22-19)12-24-8-4-5-16(10-24)11-25-15(3)21-14(2)23-25/h6-7,9,16H,4-5,8,10-12H2,1-3H3,(H,20,22)
InChIKeyRKEGFXPERGBCCM-UHFFFAOYSA-N
XLogP3.10
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine
CID 49250862
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
5-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95334783
(3S)-1-(cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95332981
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 95317619
(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 95345552
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[(4-methyl-3-nitrophenyl)methyl]piperidine
CID 122138472
4-[2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethoxy]benzonitrile
CID 95345982
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 95327979
2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
CID 95345632
4-[[(3S)-1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]morpholine
CID 126812568
(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 124626750

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine (CID 166194627) is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine is Cc1nc(C)n(CC2CCCN(Cc3cn[nH]c3-c3ccc(C)o3)C2)n1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine?
The InChIKey is RKEGFXPERGBCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-6-7-18(26-13)19-17(9-20-22-19)12-24-8-4-5-16(10-24)11-25-15(3)21-14(2)23-25/h6-7,9,16H,4-5,8,10-12H2,1-3H3,(H,20,22).
What are the key properties of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine?
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine has a molecular weight of 354.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 166194627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).