[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

C17H24N6O2 — CID 139598744

IUPAC[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(-c2ccnn2C)n1
InChIInChI=1S/C17H24N6O2/c1-12-19-16(23(20-12)15-5-8-18-21(15)2)13-6-9-22(10-7-13)17(24)14-4-3-11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyXHCVWAJFQUFOLI-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.19
Rot. Bonds3

About [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 139598744) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID139598744
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(-c2ccnn2C)n1
InChIInChI=1S/C17H24N6O2/c1-12-19-16(23(20-12)15-5-8-18-21(15)2)13-6-9-22(10-7-13)17(24)14-4-3-11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyXHCVWAJFQUFOLI-UHFFFAOYSA-N
XLogP1.19
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 72848629
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 139598744) is [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(-c2ccnn2C)n1.
What is the InChIKey of [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is XHCVWAJFQUFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-19-16(23(20-12)15-5-8-18-21(15)2)13-6-9-22(10-7-13)17(24)14-4-3-11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 139598744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).