(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine

C9H13N3O — CID 135746727

IUPAC(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccnc(N(C)C)c1
InChIInChI=1S/C9H13N3O/c1-7(11-13)8-4-5-10-9(6-8)12(2)3/h4-6,13H,1-3H3/b11-7-
InChIKeyKPWLOMHVVVKOFO-XFFZJAGNSA-N
MW179.22 g/mol
LogP1.35
Rot. Bonds2

About (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine (PubChem CID 135746727) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine
PubChem CID135746727
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccnc(N(C)C)c1
InChIInChI=1S/C9H13N3O/c1-7(11-13)8-4-5-10-9(6-8)12(2)3/h4-6,13H,1-3H3/b11-7-
InChIKeyKPWLOMHVVVKOFO-XFFZJAGNSA-N
XLogP1.35
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine (CID 135746727) is (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccnc(N(C)C)c1.
What is the InChIKey of (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is KPWLOMHVVVKOFO-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(11-13)8-4-5-10-9(6-8)12(2)3/h4-6,13H,1-3H3/b11-7-.
What are the key properties of (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 135746727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).