N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine

C10H16N4O — CID 142567302

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
SMILESCN1CCN(c2ccc(NO)nc2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)9-2-3-10(12-15)11-8-9/h2-3,8,15H,4-7H2,1H3,(H,11,12)
InChIKeyCLQUJYJQXQEIOX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds2

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine (PubChem CID 142567302) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
PubChem CID142567302
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
SMILESCN1CCN(c2ccc(NO)nc2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)9-2-3-10(12-15)11-8-9/h2-3,8,15H,4-7H2,1H3,(H,11,12)
InChIKeyCLQUJYJQXQEIOX-UHFFFAOYSA-N
XLogP0.63
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine (CID 142567302) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine is CN1CCN(c2ccc(NO)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine?
The InChIKey is CLQUJYJQXQEIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)9-2-3-10(12-15)11-8-9/h2-3,8,15H,4-7H2,1H3,(H,11,12).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine has a molecular weight of 208.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine is sourced from PubChem (CID 142567302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).