N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine

C8H11N3O — CID 131847171

IUPACN-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
SMILESCNc1ncc(C=NO)cc1C
InChIInChI=1S/C8H11N3O/c1-6-3-7(5-11-12)4-10-8(6)9-2/h3-5,12H,1-2H3,(H,9,10)
InChIKeyKCZJFMVHUZWHIJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.24
Rot. Bonds2

About N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine

N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 131847171) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID131847171
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
SMILESCNc1ncc(C=NO)cc1C
InChIInChI=1S/C8H11N3O/c1-6-3-7(5-11-12)4-10-8(6)9-2/h3-5,12H,1-2H3,(H,9,10)
InChIKeyKCZJFMVHUZWHIJ-UHFFFAOYSA-N
XLogP1.24
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
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 N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine (CID 131847171) is N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine is CNc1ncc(C=NO)cc1C.
What is the InChIKey of N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is KCZJFMVHUZWHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-3-7(5-11-12)4-10-8(6)9-2/h3-5,12H,1-2H3,(H,9,10).
What are the key properties of N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine?
N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 165.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 131847171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).