2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride

C5H9ClN4O — CID 137231804

IUPAC2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(NN)n1.Cl
InChIInChI=1S/C5H8N4O.ClH/c1-3-2-4(10)8-5(7-3)9-6;/h2H,6H2,1H3,(H2,7,8,9,10);1H
InChIKeyAUAWMQGWUMPVMG-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.21
Rot. Bonds1

About 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137231804) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID137231804
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Name2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(NN)n1.Cl
InChIInChI=1S/C5H8N4O.ClH/c1-3-2-4(10)8-5(7-3)9-6;/h2H,6H2,1H3,(H2,7,8,9,10);1H
InChIKeyAUAWMQGWUMPVMG-UHFFFAOYSA-N
XLogP-0.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.21
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 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 137231804) is 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1cc(=O)[nH]c(NN)n1.Cl.
What is the InChIKey of 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is AUAWMQGWUMPVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.ClH/c1-3-2-4(10)8-5(7-3)9-6;/h2H,6H2,1H3,(H2,7,8,9,10);1H.
What are the key properties of 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137231804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).