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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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).