5-(6-oxopyrimidin-1-yl)pentanehydrazide

C9H14N4O2 — CID 63795978

IUPAC5-(6-oxopyrimidin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnccc1=O
InChIInChI=1S/C9H14N4O2/c10-12-8(14)3-1-2-6-13-7-11-5-4-9(13)15/h4-5,7H,1-3,6,10H2,(H,12,14)
InChIKeyCQWAAYXRDPPZCA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.60
Rot. Bonds5

About 5-(6-oxopyrimidin-1-yl)pentanehydrazide

5-(6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 63795978) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID63795978
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(6-oxopyrimidin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnccc1=O
InChIInChI=1S/C9H14N4O2/c10-12-8(14)3-1-2-6-13-7-11-5-4-9(13)15/h4-5,7H,1-3,6,10H2,(H,12,14)
InChIKeyCQWAAYXRDPPZCA-UHFFFAOYSA-N
XLogP-0.60
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-(6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(6-oxopyrimidin-1-yl)pentanehydrazide (CID 63795978) is 5-(6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(6-oxopyrimidin-1-yl)pentanehydrazide is NNC(=O)CCCCn1cnccc1=O.
What is the InChIKey of 5-(6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is CQWAAYXRDPPZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-12-8(14)3-1-2-6-13-7-11-5-4-9(13)15/h4-5,7H,1-3,6,10H2,(H,12,14).
What are the key properties of 5-(6-oxopyrimidin-1-yl)pentanehydrazide?
5-(6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 63795978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).