N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C5H8N4O2S — CID 130626422

IUPACN-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)NO
InChIInChI=1S/C5H8N4O2S/c1-3(4(10)9-11)12-5-6-2-7-8-5/h2-3,11H,1H3,(H,9,10)(H,6,7,8)
InChIKeyPWJVTKGODBKQOA-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.21
Rot. Bonds3

About N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 130626422) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID130626422
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC NameN-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)NO
InChIInChI=1S/C5H8N4O2S/c1-3(4(10)9-11)12-5-6-2-7-8-5/h2-3,11H,1H3,(H,9,10)(H,6,7,8)
InChIKeyPWJVTKGODBKQOA-UHFFFAOYSA-N
XLogP-0.21
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
(2R)-N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 94184768
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785107
(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 43412578
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
(2R)-N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785073
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785065
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
(2R)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 8706618
(2S)-1-pyrrolidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 7785039
(2S)-N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 39795457

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 130626422) is N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is CC(Sc1ncn[nH]1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is PWJVTKGODBKQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-3(4(10)9-11)12-5-6-2-7-8-5/h2-3,11H,1H3,(H,9,10)(H,6,7,8).
What are the key properties of N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 188.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 130626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).