N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C6H10N4O3 — CID 175515936

IUPACN-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13)
InChIKeyLQNMWBKJWWTYBN-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.73
Rot. Bonds3

About N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 175515936) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID175515936
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC NameN-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13)
InChIKeyLQNMWBKJWWTYBN-UHFFFAOYSA-N
XLogP-1.73
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(Dimethylamino)-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175515951
N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide
CID 175516059
3-[2-(Chloroamino)-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175516146
4-Ethyl-3-(1-hydroxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 45083224
3-(2-Amino-1-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136242544
3-(2-Amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136704081
3-[(1S)-2-amino-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136755765
3-[(1S)-3-amino-1-hydroxypropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136755766
3-(3-Amino-1-hydroxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136755767
N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137258855
(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 137273935

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 175515936) is N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is CC(=O)NCC(O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is LQNMWBKJWWTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13).
What are the key properties of N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 186.17 g/mol, XLogP of -1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 175515936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).