O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine

C4H8N4O — CID 146075477

IUPACO-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine
SMILESC[C@H](ON)c1ncn[nH]1
InChIInChI=1S/C4H8N4O/c1-3(9-5)4-6-2-7-8-4/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1
InChIKeyWKVIFJBXEOKFRJ-VKHMYHEASA-N
MW128.13 g/mol
LogP-0.24
Rot. Bonds2

About O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine

O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine (PubChem CID 146075477) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine
PubChem CID146075477
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC NameO-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine
SMILESC[C@H](ON)c1ncn[nH]1
InChIInChI=1S/C4H8N4O/c1-3(9-5)4-6-2-7-8-4/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1
InChIKeyWKVIFJBXEOKFRJ-VKHMYHEASA-N
XLogP-0.24
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine (CID 146075477) is O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine is C[C@H](ON)c1ncn[nH]1.
What is the InChIKey of O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine?
The InChIKey is WKVIFJBXEOKFRJ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(9-5)4-6-2-7-8-4/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1.
What are the key properties of O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine?
O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine has a molecular weight of 128.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 146075477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).