N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide

C11H18N4O3 — CID 146153021

IUPACN-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@@H](c2n[nH]c(=O)n2C)C[C@@H]1O
InChIInChI=1S/C11H18N4O3/c1-6(16)12-5-8-3-7(4-9(8)17)10-13-14-11(18)15(10)2/h7-9,17H,3-5H2,1-2H3,(H,12,16)(H,14,18)/t7-,8+,9+/m1/s1
InChIKeyIDHFSNWXJGYIEQ-VGMNWLOBSA-N
MW254.29 g/mol
LogP-0.90
Rot. Bonds3

About N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide

N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide (PubChem CID 146153021) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
PubChem CID146153021
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@@H](c2n[nH]c(=O)n2C)C[C@@H]1O
InChIInChI=1S/C11H18N4O3/c1-6(16)12-5-8-3-7(4-9(8)17)10-13-14-11(18)15(10)2/h7-9,17H,3-5H2,1-2H3,(H,12,16)(H,14,18)/t7-,8+,9+/m1/s1
InChIKeyIDHFSNWXJGYIEQ-VGMNWLOBSA-N
XLogP-0.90
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S,3R,4R)-3-(Aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one;hydrochloride
CID 132327988
3-[(1S,3R,4R)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 132327989
3-[(1S,3R,4R)-3-(Aminomethyl)-4-hydroxycyclopentyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 132342293
rac-tert-butyl N-{[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl}carbamate
CID 132343968
rac-3-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 132351219
5-[(1S,3R,4R)-3-(aminomethyl)-4-hydroxycyclopentyl]-2,4-dimethyl-1,2,4-triazol-3-one
CID 132351220
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-2-[1-(methoxymethyl)cyclopropyl]acetamide
CID 132365223
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-2-(2-methylbutan-2-yloxy)acetamide
CID 132365225
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-4,4-dimethylpent-2-ynamide
CID 132365226
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-3-methyloxetane-3-carboxamide
CID 132365233
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 132365234
2,2-dicyclopropyl-N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]acetamide
CID 132365237

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide (CID 146153021) is N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide is CC(=O)NC[C@@H]1C[C@@H](c2n[nH]c(=O)n2C)C[C@@H]1O.
What is the InChIKey of N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The InChIKey is IDHFSNWXJGYIEQ-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(16)12-5-8-3-7(4-9(8)17)10-13-14-11(18)15(10)2/h7-9,17H,3-5H2,1-2H3,(H,12,16)(H,14,18)/t7-,8+,9+/m1/s1.
What are the key properties of N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 146153021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).