(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

C6H10N4O3 — CID 137273935

IUPAC(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESC[C@@H](O)C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)5(12)7-2-4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13)/t3-/m1/s1
InChIKeyIEMBJMQIVOSGLP-GSVOUGTGSA-N
MW186.17 g/mol
LogP-1.90
Rot. Bonds3

About (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 137273935) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID137273935
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESC[C@@H](O)C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)5(12)7-2-4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13)/t3-/m1/s1
InChIKeyIEMBJMQIVOSGLP-GSVOUGTGSA-N
XLogP-1.90
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 ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 175515936
N-[2-hydroxy-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]acetamide
CID 175516059
N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137258855
2-hydroxy-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethylamino]-N,N-dipropylpropanamide
CID 167875965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (CID 137273935) is (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is C[C@@H](O)C(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is IEMBJMQIVOSGLP-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3(11)5(12)7-2-4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13)/t3-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
(2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 186.17 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 137273935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).