1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride

C20H23ClN6O2 — CID 118738126

IUPAC1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCl.Nc1ccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1
InChIInChI=1S/C20H22N6O2.ClH/c21-17-10-9-14(12-22-17)19-23-20(25-24-19)16-8-4-5-11-26(16)18(27)13-28-15-6-2-1-3-7-15;/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)(H,23,24,25);1H/t16-;/m1./s1
InChIKeyDUQAVGSPCDXBFP-PKLMIRHRSA-N
MW414.90 g/mol
LogP3.00
Rot. Bonds5

About 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride

1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride (PubChem CID 118738126) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
PubChem CID118738126
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCl.Nc1ccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1
InChIInChI=1S/C20H22N6O2.ClH/c21-17-10-9-14(12-22-17)19-23-20(25-24-19)16-8-4-5-11-26(16)18(27)13-28-15-6-2-1-3-7-15;/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)(H,23,24,25);1H/t16-;/m1./s1
InChIKeyDUQAVGSPCDXBFP-PKLMIRHRSA-N
XLogP3.00
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Eclitasertib
CID 130298939
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7711146
5-benzyl-N-[(3R)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130314182
5-benzyl-N-[(3S)-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 155357336
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
5-benzyl-N-[(3R)-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 164621412
2-phenoxy-N-(propan-2-yl)-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 66551726
1-ethyl-3-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]urea
CID 68685811
(R)-1-{2-[5-(3-Amino-phenyl)-2H-[1,2,4]triazol-3-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 68687135
N-[4-fluoro-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 68687466
N-[3-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 68687530
7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 68687558

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The IUPAC name of 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride (CID 118738126) is 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride.
What is the SMILES notation for 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The canonical SMILES for 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride is Cl.Nc1ccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1.
What is the InChIKey of 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The InChIKey is DUQAVGSPCDXBFP-PKLMIRHRSA-N. The full InChI is InChI=1S/C20H22N6O2.ClH/c21-17-10-9-14(12-22-17)19-23-20(25-24-19)16-8-4-5-11-26(16)18(27)13-28-15-6-2-1-3-7-15;/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)(H,23,24,25);1H/t16-;/m1./s1.
What are the key properties of 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride has a molecular weight of 414.90 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride is sourced from PubChem (CID 118738126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).