4-amino-3-methanimidoyl-1H-pyridin-2-one

C6H7N3O — CID 137277680

IUPAC4-amino-3-methanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(N)cc[nH]c1=O
InChIInChI=1S/C6H7N3O/c7-3-4-5(8)1-2-9-6(4)10/h1-3,7H,(H3,8,9,10)/b7-3+
InChIKeyQRBMLNAEXMTEEN-XVNBXDOJSA-N
MW137.14 g/mol
LogP-0.05
Rot. Bonds1

About 4-amino-3-methanimidoyl-1H-pyridin-2-one

4-amino-3-methanimidoyl-1H-pyridin-2-one (PubChem CID 137277680) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-amino-3-methanimidoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-methanimidoyl-1H-pyridin-2-one
PubChem CID137277680
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4-amino-3-methanimidoyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(N)cc[nH]c1=O
InChIInChI=1S/C6H7N3O/c7-3-4-5(8)1-2-9-6(4)10/h1-3,7H,(H3,8,9,10)/b7-3+
InChIKeyQRBMLNAEXMTEEN-XVNBXDOJSA-N
XLogP-0.05
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methanimidoyl-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-methanimidoyl-1H-pyridin-2-one (CID 137277680) is 4-amino-3-methanimidoyl-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-methanimidoyl-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-methanimidoyl-1H-pyridin-2-one is [H]/N=C/c1c(N)cc[nH]c1=O.
What is the InChIKey of 4-amino-3-methanimidoyl-1H-pyridin-2-one?
The InChIKey is QRBMLNAEXMTEEN-XVNBXDOJSA-N. 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)/b7-3+.
What are the key properties of 4-amino-3-methanimidoyl-1H-pyridin-2-one?
4-amino-3-methanimidoyl-1H-pyridin-2-one has a molecular weight of 137.14 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methanimidoyl-1H-pyridin-2-one is sourced from PubChem (CID 137277680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).