(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine

C13H16N4O2 — CID 56658346

IUPAC(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCC(C)COc1ncccc1/C(=N/O)n1ccnc1
InChIInChI=1S/C13H16N4O2/c1-10(2)8-19-13-11(4-3-5-15-13)12(16-18)17-7-6-14-9-17/h3-7,9-10,18H,8H2,1-2H3/b16-12-
InChIKeyQPXZSBVZIFLCDS-VBKFSLOCSA-N
MW260.30 g/mol
LogP2.00
Rot. Bonds4

About (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56658346) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56658346
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCC(C)COc1ncccc1/C(=N/O)n1ccnc1
InChIInChI=1S/C13H16N4O2/c1-10(2)8-19-13-11(4-3-5-15-13)12(16-18)17-7-6-14-9-17/h3-7,9-10,18H,8H2,1-2H3/b16-12-
InChIKeyQPXZSBVZIFLCDS-VBKFSLOCSA-N
XLogP2.00
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56658346) is (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine is CC(C)COc1ncccc1/C(=N/O)n1ccnc1.
What is the InChIKey of (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is QPXZSBVZIFLCDS-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(2)8-19-13-11(4-3-5-15-13)12(16-18)17-7-6-14-9-17/h3-7,9-10,18H,8H2,1-2H3/b16-12-.
What are the key properties of (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 260.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[imidazol-1-yl-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56658346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).