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

C7H12N4O3 — CID 175516059

IUPACN-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O3/c1-4(12)8-3-5(13)2-6-9-7(14)11-10-6/h5,13H,2-3H2,1H3,(H,8,12)(H2,9,10,11,14)
InChIKeyOJTBACHZTGNAKV-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.86
Rot. Bonds4

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

N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 175516059) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID175516059
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameN-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O3/c1-4(12)8-3-5(13)2-6-9-7(14)11-10-6/h5,13H,2-3H2,1H3,(H,8,12)(H2,9,10,11,14)
InChIKeyOJTBACHZTGNAKV-UHFFFAOYSA-N
XLogP-1.86
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Dimethylamino)-2-hydroxypropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175515865
N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 175515936
3-[3-(Chloroamino)-2-hydroxypropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175516211
3-(1-Amino-2-hydroxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136041623
3-[(1R,2R)-1-amino-2-hydroxypropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136695131
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
3-(3-Amino-2-hydroxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137267575
(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-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide (CID 175516059) is N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide is CC(=O)NCC(O)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is OJTBACHZTGNAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(12)8-3-5(13)2-6-9-7(14)11-10-6/h5,13H,2-3H2,1H3,(H,8,12)(H2,9,10,11,14).
What are the key properties of N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide?
N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 200.20 g/mol, XLogP of -1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 175516059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).