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

C7H10N4O2 — CID 63572224

IUPAC3-(2-oxopyrimidin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1cccnc1=O
InChIInChI=1S/C7H10N4O2/c8-10-6(12)2-5-11-4-1-3-9-7(11)13/h1,3-4H,2,5,8H2,(H,10,12)
InChIKeyIUKVXJHMLPHQBE-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.38
Rot. Bonds3

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

3-(2-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 63572224) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-oxopyrimidin-1-yl)propanehydrazide
PubChem CID63572224
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2-oxopyrimidin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1cccnc1=O
InChIInChI=1S/C7H10N4O2/c8-10-6(12)2-5-11-4-1-3-9-7(11)13/h1,3-4H,2,5,8H2,(H,10,12)
InChIKeyIUKVXJHMLPHQBE-UHFFFAOYSA-N
XLogP-1.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.38
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-(2-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(2-oxopyrimidin-1-yl)propanehydrazide (CID 63572224) is 3-(2-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-oxopyrimidin-1-yl)propanehydrazide is NNC(=O)CCn1cccnc1=O.
What is the InChIKey of 3-(2-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is IUKVXJHMLPHQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-10-6(12)2-5-11-4-1-3-9-7(11)13/h1,3-4H,2,5,8H2,(H,10,12).
What are the key properties of 3-(2-oxopyrimidin-1-yl)propanehydrazide?
3-(2-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 182.18 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 63572224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).