5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen

C9H17N3O — CID 145188442

IUPAC5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen
SMILES[H]/N=C(/c1[nH]c(=O)ccc1N)C(C)C.[H][H].[H][H]
InChIInChI=1S/C9H13N3O.2H2/c1-5(2)8(11)9-6(10)3-4-7(13)12-9;;/h3-5,11H,10H2,1-2H3,(H,12,13);2*1H/b11-8+;;
InChIKeyKMFGJQBRVJKUBW-OHENRDTHSA-N
MW183.26 g/mol
LogP1.47
Rot. Bonds2

About 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen

5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen (PubChem CID 145188442) has the molecular formula C9H17N3O and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen
PubChem CID145188442
Molecular FormulaC9H17N3O
Molecular Weight183.26 g/mol
Exact Mass183.14
IUPAC Name5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen
SMILES[H]/N=C(/c1[nH]c(=O)ccc1N)C(C)C.[H][H].[H][H]
InChIInChI=1S/C9H13N3O.2H2/c1-5(2)8(11)9-6(10)3-4-7(13)12-9;;/h3-5,11H,10H2,1-2H3,(H,12,13);2*1H/b11-8+;;
InChIKeyKMFGJQBRVJKUBW-OHENRDTHSA-N
XLogP1.47
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 51.47
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 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen (CID 145188442) is 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen is [H]/N=C(/c1[nH]c(=O)ccc1N)C(C)C.[H][H].[H][H].
What is the InChIKey of 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is KMFGJQBRVJKUBW-OHENRDTHSA-N. The full InChI is InChI=1S/C9H13N3O.2H2/c1-5(2)8(11)9-6(10)3-4-7(13)12-9;;/h3-5,11H,10H2,1-2H3,(H,12,13);2*1H/b11-8+;;.
What are the key properties of 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen?
5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 183.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 145188442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).