O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine

C7H7N3O — CID 22053322

IUPACO-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine
SMILESNOCC#Cc1ncccn1
InChIInChI=1S/C7H7N3O/c8-11-6-1-3-7-9-4-2-5-10-7/h2,4-5H,6,8H2
InChIKeyONPHCLRSPNIDKR-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.28
Rot. Bonds1

About O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine

O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine (PubChem CID 22053322) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine
PubChem CID22053322
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameO-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine
SMILESNOCC#Cc1ncccn1
InChIInChI=1S/C7H7N3O/c8-11-6-1-3-7-9-4-2-5-10-7/h2,4-5H,6,8H2
InChIKeyONPHCLRSPNIDKR-UHFFFAOYSA-N
XLogP-0.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine?
The IUPAC name of O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine (CID 22053322) is O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine.
What is the SMILES notation for O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine?
The canonical SMILES for O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine is NOCC#Cc1ncccn1.
What is the InChIKey of O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine?
The InChIKey is ONPHCLRSPNIDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-11-6-1-3-7-9-4-2-5-10-7/h2,4-5H,6,8H2.
What are the key properties of O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine?
O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine has a molecular weight of 149.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-pyrimidin-2-ylprop-2-ynyl)hydroxylamine is sourced from PubChem (CID 22053322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).