(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid

C8H10N4O3 — CID 135485441

IUPAC(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1nc(C)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/b11-5-
InChIKeyWRWMCDGJBXKZQH-WZUFQYTHSA-N
MW210.19 g/mol
LogP-0.05
Rot. Bonds3

About (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid

(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid (PubChem CID 135485441) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
PubChem CID135485441
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1nc(C)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/b11-5-
InChIKeyWRWMCDGJBXKZQH-WZUFQYTHSA-N
XLogP-0.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid (CID 135485441) is (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid is C/C(=N/Nc1nc(C)cc(=O)[nH]1)C(=O)O.
What is the InChIKey of (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid?
The InChIKey is WRWMCDGJBXKZQH-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/b11-5-.
What are the key properties of (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid?
(2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid has a molecular weight of 210.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 135485441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).