2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

C7H10N4O2 — CID 63574135

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1cc(=O)n(CC(=O)NN)cn1
InChIInChI=1S/C7H10N4O2/c1-5-2-7(13)11(4-9-5)3-6(12)10-8/h2,4H,3,8H2,1H3,(H,10,12)
InChIKeyYPOCJQKKJNDBED-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.46
Rot. Bonds2

About 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 63574135) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID63574135
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1cc(=O)n(CC(=O)NN)cn1
InChIInChI=1S/C7H10N4O2/c1-5-2-7(13)11(4-9-5)3-6(12)10-8/h2,4H,3,8H2,1H3,(H,10,12)
InChIKeyYPOCJQKKJNDBED-UHFFFAOYSA-N
XLogP-1.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 63574135) is 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is Cc1cc(=O)n(CC(=O)NN)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is YPOCJQKKJNDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5-2-7(13)11(4-9-5)3-6(12)10-8/h2,4H,3,8H2,1H3,(H,10,12).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 182.18 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 63574135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).