(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine

C11H16N4O — CID 124502943

IUPAC(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine
SMILESCN1CCN(c2ccc(/C=N\O)cn2)CC1
InChIInChI=1S/C11H16N4O/c1-14-4-6-15(7-5-14)11-3-2-10(8-12-11)9-13-16/h2-3,8-9,16H,4-7H2,1H3/b13-9-
InChIKeyWPSXQOHRMHHTRQ-LCYFTJDESA-N
MW220.28 g/mol
LogP0.64
Rot. Bonds2

About (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 124502943) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID124502943
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine
SMILESCN1CCN(c2ccc(/C=N\O)cn2)CC1
InChIInChI=1S/C11H16N4O/c1-14-4-6-15(7-5-14)11-3-2-10(8-12-11)9-13-16/h2-3,8-9,16H,4-7H2,1H3/b13-9-
InChIKeyWPSXQOHRMHHTRQ-LCYFTJDESA-N
XLogP0.64
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine with MolForge

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Related Compounds

tert-butyl 4-[5-[(Z)-hydroxyiminomethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 124502961
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
CID 102546786
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
N-[(6-iodo-3-pyridinyl)methylidene]hydroxylamine
CID 131847169
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine (CID 124502943) is (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine is CN1CCN(c2ccc(/C=N\O)cn2)CC1.
What is the InChIKey of (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is WPSXQOHRMHHTRQ-LCYFTJDESA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-4-6-15(7-5-14)11-3-2-10(8-12-11)9-13-16/h2-3,8-9,16H,4-7H2,1H3/b13-9-.
What are the key properties of (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 220.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 124502943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).