3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

C17H24N6O3 — CID 137242367

IUPAC3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cnn1C1CCOCC1
InChIInChI=1S/C17H24N6O3/c1-11-13(10-18-23(11)12-5-8-26-9-6-12)16(24)22-7-3-2-4-14(22)15-19-17(25)21-20-15/h10,12,14H,2-9H2,1H3,(H2,19,20,21,25)/t14-/m1/s1
InChIKeyOMJXXEYXSQTFMX-CQSZACIVSA-N
MW360.42 g/mol
LogP1.32
Rot. Bonds3

About 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137242367) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137242367
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cnn1C1CCOCC1
InChIInChI=1S/C17H24N6O3/c1-11-13(10-18-23(11)12-5-8-26-9-6-12)16(24)22-7-3-2-4-14(22)15-19-17(25)21-20-15/h10,12,14H,2-9H2,1H3,(H2,19,20,21,25)/t14-/m1/s1
InChIKeyOMJXXEYXSQTFMX-CQSZACIVSA-N
XLogP1.32
TPSA108.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-methyl-4-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]-1,4-diazepan-2-one
CID 136588045
3-[1-(5-acetylthiophene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136548261
3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137204940
3-[(2S)-1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242413
3-[(2S)-1-(3-chloro-5-methoxybenzoyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137175365
4-chloro-3-[(2S)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
CID 137175372
(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 137216218
2-[4-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520554
(5-methyl-1-pentan-3-ylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 122135234
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-(1-methylpyrazol-4-yl)-1,4-thiazepan-4-yl]methanone
CID 155954781
3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 166343145
[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 126767274

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137242367) is 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is Cc1c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cnn1C1CCOCC1.
What is the InChIKey of 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is OMJXXEYXSQTFMX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-13(10-18-23(11)12-5-8-26-9-6-12)16(24)22-7-3-2-4-14(22)15-19-17(25)21-20-15/h10,12,14H,2-9H2,1H3,(H2,19,20,21,25)/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 360.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137242367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).