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

C4H7N5OS — CID 71393351

IUPACN'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide
SMILESNC(CSc1ncn[nH]1)=NO
InChIInChI=1S/C4H7N5OS/c5-3(9-10)1-11-4-6-2-7-8-4/h2,10H,1H2,(H2,5,9)(H,6,7,8)
InChIKeyPJULDPHODXNDTA-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.36
Rot. Bonds3

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

N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide (PubChem CID 71393351) has the molecular formula C4H7N5OS and a molecular weight of 173.20 g/mol. Its IUPAC name is N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide
PubChem CID71393351
Molecular FormulaC4H7N5OS
Molecular Weight173.20 g/mol
Exact Mass173.04
IUPAC NameN'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide
SMILESNC(CSc1ncn[nH]1)=NO
InChIInChI=1S/C4H7N5OS/c5-3(9-10)1-11-4-6-2-7-8-4/h2,10H,1H2,(H2,5,9)(H,6,7,8)
InChIKeyPJULDPHODXNDTA-UHFFFAOYSA-N
XLogP-0.36
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-1,2,4-triazol-5-ylsulfanylmethanamine
CID 67903702
ethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 799674
N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068229
1-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione
CID 22414245
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone
CID 2084314
2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 107118354
N-tert-butyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 575336
1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212859
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 106933255
N-pentan-3-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7784986
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 603206
N'-hydroxy-2-methoxy-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 77065947

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide (CID 71393351) is N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide is NC(CSc1ncn[nH]1)=NO.
What is the InChIKey of N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide?
The InChIKey is PJULDPHODXNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5OS/c5-3(9-10)1-11-4-6-2-7-8-4/h2,10H,1H2,(H2,5,9)(H,6,7,8).
What are the key properties of N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide?
N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide has a molecular weight of 173.20 g/mol, XLogP of -0.36, 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)ethanimidamide is sourced from PubChem (CID 71393351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).