2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

C18H27N7 — CID 70737778

IUPAC2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H27N7/c1-23-17(14-24-9-3-2-4-10-24)21-22-18(23)15-5-11-25(12-6-15)16-13-19-7-8-20-16/h7-8,13,15H,2-6,9-12,14H2,1H3
InChIKeyXQBRZQWXLVQWFM-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 70737778) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID70737778
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H27N7/c1-23-17(14-24-9-3-2-4-10-24)21-22-18(23)15-5-11-25(12-6-15)16-13-19-7-8-20-16/h7-8,13,15H,2-6,9-12,14H2,1H3
InChIKeyXQBRZQWXLVQWFM-UHFFFAOYSA-N
XLogP1.98
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine with MolForge

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Related Compounds

({4-cyclopropyl-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
CID 70756516
6-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-N,N-dimethyl-2-pyrazinamine
CID 72864312
1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
1-cyclohexyl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72885805
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
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
2-methyl-3-{4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrazine
CID 70704352
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
(cis-3-{4-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91788303
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 70737778) is 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cn1c(CN2CCCCC2)nnc1C1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is XQBRZQWXLVQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-23-17(14-24-9-3-2-4-10-24)21-22-18(23)15-5-11-25(12-6-15)16-13-19-7-8-20-16/h7-8,13,15H,2-6,9-12,14H2,1H3.
What are the key properties of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 341.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 70737778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).