5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide

C12H18N4O2 — CID 114281817

IUPAC5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide
SMILESNC(=O)CCCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C12H18N4O2/c13-11(17)3-1-2-6-16-12(18)7-10(8-14-16)15-9-4-5-9/h7-9,15H,1-6H2,(H2,13,17)
InChIKeyQDXYRRYCIWZNDC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds7

About 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide

5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide (PubChem CID 114281817) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide.

Molecular Properties

Compound Name5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide
PubChem CID114281817
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide
SMILESNC(=O)CCCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C12H18N4O2/c13-11(17)3-1-2-6-16-12(18)7-10(8-14-16)15-9-4-5-9/h7-9,15H,1-6H2,(H2,13,17)
InChIKeyQDXYRRYCIWZNDC-UHFFFAOYSA-N
XLogP0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide?
The IUPAC name of 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide (CID 114281817) is 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide.
What is the SMILES notation for 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide?
The canonical SMILES for 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide is NC(=O)CCCCn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide?
The InChIKey is QDXYRRYCIWZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11(17)3-1-2-6-16-12(18)7-10(8-14-16)15-9-4-5-9/h7-9,15H,1-6H2,(H2,13,17).
What are the key properties of 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide?
5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide has a molecular weight of 250.30 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]pentanamide is sourced from PubChem (CID 114281817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).