3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide

C8H12N4O2 — CID 130485274

IUPAC3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ccn(CCC(=O)NN)c(=O)n1
InChIInChI=1S/C8H12N4O2/c1-6-2-4-12(8(14)10-6)5-3-7(13)11-9/h2,4H,3,5,9H2,1H3,(H,11,13)
InChIKeyWJHUJVUKUCXTLM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.07
Rot. Bonds3

About 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide

3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 130485274) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide
PubChem CID130485274
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ccn(CCC(=O)NN)c(=O)n1
InChIInChI=1S/C8H12N4O2/c1-6-2-4-12(8(14)10-6)5-3-7(13)11-9/h2,4H,3,5,9H2,1H3,(H,11,13)
InChIKeyWJHUJVUKUCXTLM-UHFFFAOYSA-N
XLogP-1.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.07
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 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide (CID 130485274) is 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide is Cc1ccn(CCC(=O)NN)c(=O)n1.
What is the InChIKey of 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is WJHUJVUKUCXTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6-2-4-12(8(14)10-6)5-3-7(13)11-9/h2,4H,3,5,9H2,1H3,(H,11,13).
What are the key properties of 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide?
3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 196.21 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 130485274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).