5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one

C6H10N4O2 — CID 164541114

IUPAC5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one
SMILESCC(C)n1ncc(NO)nc1=O
InChIInChI=1S/C6H10N4O2/c1-4(2)10-6(11)8-5(9-12)3-7-10/h3-4,12H,1-2H3,(H,8,9,11)
InChIKeyHTPKASBOXASXMM-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.02
Rot. Bonds2

About 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one

5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one (PubChem CID 164541114) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one
PubChem CID164541114
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one
SMILESCC(C)n1ncc(NO)nc1=O
InChIInChI=1S/C6H10N4O2/c1-4(2)10-6(11)8-5(9-12)3-7-10/h3-4,12H,1-2H3,(H,8,9,11)
InChIKeyHTPKASBOXASXMM-UHFFFAOYSA-N
XLogP0.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide
CID 154882458
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
CID 119054332
1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136842584
1-(5-bromo-1-propan-2-ylpyrazol-4-yl)-2-(methylamino)ethanone
CID 84806491
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213760
4-bromo-2-propan-2-yl-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436905
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
4-fluoro-1-propan-2-ylpyrazole-5-carboxylic acid
CID 58356341
5-nitro-1-propan-2-ylpyrazole-4-carboxylic acid
CID 146680478
5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219065

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one?
The IUPAC name of 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one (CID 164541114) is 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one?
The canonical SMILES for 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one is CC(C)n1ncc(NO)nc1=O.
What is the InChIKey of 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one?
The InChIKey is HTPKASBOXASXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)10-6(11)8-5(9-12)3-7-10/h3-4,12H,1-2H3,(H,8,9,11).
What are the key properties of 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one?
5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one has a molecular weight of 170.17 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-2-propan-2-yl-1,2,4-triazin-3-one is sourced from PubChem (CID 164541114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).