5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride

C4H6ClFN4O — CID 172639860

IUPAC5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C4H5FN4O.ClH/c5-2-1-7-4(9-6)8-3(2)10;/h1H,6H2,(H2,7,8,9,10);1H
InChIKeyXIHXYYHNULNXDH-UHFFFAOYSA-N
MW180.57 g/mol
LogP-0.38
Rot. Bonds1

About 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride

5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 172639860) has the molecular formula C4H6ClFN4O and a molecular weight of 180.57 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID172639860
Molecular FormulaC4H6ClFN4O
Molecular Weight180.57 g/mol
Exact Mass180.02
IUPAC Name5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C4H5FN4O.ClH/c5-2-1-7-4(9-6)8-3(2)10;/h1H,6H2,(H2,7,8,9,10);1H
InChIKeyXIHXYYHNULNXDH-UHFFFAOYSA-N
XLogP-0.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.57
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride (CID 172639860) is 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride is Cl.NNc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is XIHXYYHNULNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O.ClH/c5-2-1-7-4(9-6)8-3(2)10;/h1H,6H2,(H2,7,8,9,10);1H.
What are the key properties of 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride?
5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 180.57 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 172639860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).