4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one

C14H24N4O — CID 114392005

IUPAC4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one
SMILESCN(CCCNc1cn[nH]c(=O)c1)C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-18(13-6-3-2-4-7-13)9-5-8-15-12-10-14(19)17-16-11-12/h10-11,13H,2-9H2,1H3,(H2,15,17,19)
InChIKeyVXAAQRWMMYBXGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

About 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one

4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one (PubChem CID 114392005) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one
PubChem CID114392005
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one
SMILESCN(CCCNc1cn[nH]c(=O)c1)C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-18(13-6-3-2-4-7-13)9-5-8-15-12-10-14(19)17-16-11-12/h10-11,13H,2-9H2,1H3,(H2,15,17,19)
InChIKeyVXAAQRWMMYBXGR-UHFFFAOYSA-N
XLogP1.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one (CID 114392005) is 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one is CN(CCCNc1cn[nH]c(=O)c1)C1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one?
The InChIKey is VXAAQRWMMYBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18(13-6-3-2-4-7-13)9-5-8-15-12-10-14(19)17-16-11-12/h10-11,13H,2-9H2,1H3,(H2,15,17,19).
What are the key properties of 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one?
4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).