(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium

C6H8N3O+ — CID 142346346

IUPAC(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium
SMILESNc1cc[nH]c(=O)c1C=[NH2+]
InChIInChI=1S/C6H7N3O/c7-3-4-5(8)1-2-9-6(4)10/h1-3,7H,(H3,8,9,10)/p+1
InChIKeyQRBMLNAEXMTEEN-UHFFFAOYSA-O
MW138.15 g/mol
LogP-1.86
Rot. Bonds1

About (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium

(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium (PubChem CID 142346346) has the molecular formula C6H8N3O+ and a molecular weight of 138.15 g/mol. Its IUPAC name is (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium.

Molecular Properties

Compound Name(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium
PubChem CID142346346
Molecular FormulaC6H8N3O+
Molecular Weight138.15 g/mol
Exact Mass138.07
IUPAC Name(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium
SMILESNc1cc[nH]c(=O)c1C=[NH2+]
InChIInChI=1S/C6H7N3O/c7-3-4-5(8)1-2-9-6(4)10/h1-3,7H,(H3,8,9,10)/p+1
InChIKeyQRBMLNAEXMTEEN-UHFFFAOYSA-O
XLogP-1.86
TPSA84.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium?
The IUPAC name of (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium (CID 142346346) is (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium.
What is the SMILES notation for (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium?
The canonical SMILES for (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium is Nc1cc[nH]c(=O)c1C=[NH2+].
What is the InChIKey of (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium?
The InChIKey is QRBMLNAEXMTEEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N3O/c7-3-4-5(8)1-2-9-6(4)10/h1-3,7H,(H3,8,9,10)/p+1.
What are the key properties of (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium?
(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium has a molecular weight of 138.15 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium is sourced from PubChem (CID 142346346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).