2-amino-4-hydrazinyl-1H-pyrimidin-6-one

C4H7N5O — CID 135471982

IUPAC2-amino-4-hydrazinyl-1H-pyrimidin-6-one
SMILESNNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C4H7N5O/c5-4-7-2(9-6)1-3(10)8-4/h1H,6H2,(H4,5,7,8,9,10)
InChIKeyLUWPFMIHXOPDBK-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.36
Rot. Bonds1

About 2-amino-4-hydrazinyl-1H-pyrimidin-6-one

2-amino-4-hydrazinyl-1H-pyrimidin-6-one (PubChem CID 135471982) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-4-hydrazinyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydrazinyl-1H-pyrimidin-6-one
PubChem CID135471982
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name2-amino-4-hydrazinyl-1H-pyrimidin-6-one
SMILESNNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C4H7N5O/c5-4-7-2(9-6)1-3(10)8-4/h1H,6H2,(H4,5,7,8,9,10)
InChIKeyLUWPFMIHXOPDBK-UHFFFAOYSA-N
XLogP-1.36
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydrazinyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydrazinyl-1H-pyrimidin-6-one (CID 135471982) is 2-amino-4-hydrazinyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydrazinyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydrazinyl-1H-pyrimidin-6-one is NNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-hydrazinyl-1H-pyrimidin-6-one?
The InChIKey is LUWPFMIHXOPDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-4-7-2(9-6)1-3(10)8-4/h1H,6H2,(H4,5,7,8,9,10).
What are the key properties of 2-amino-4-hydrazinyl-1H-pyrimidin-6-one?
2-amino-4-hydrazinyl-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydrazinyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135471982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).