1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one

C12H18N4O — CID 113243711

IUPAC1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
SMILESO=C(CCNc1cccnn1)N1CCCCC1
InChIInChI=1S/C12H18N4O/c17-12(16-9-2-1-3-10-16)6-8-13-11-5-4-7-14-15-11/h4-5,7H,1-3,6,8-10H2,(H,13,15)
InChIKeyFYRCXWXVMUNAFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds4

About 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one

1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one (PubChem CID 113243711) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
PubChem CID113243711
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
SMILESO=C(CCNc1cccnn1)N1CCCCC1
InChIInChI=1S/C12H18N4O/c17-12(16-9-2-1-3-10-16)6-8-13-11-5-4-7-14-15-11/h4-5,7H,1-3,6,8-10H2,(H,13,15)
InChIKeyFYRCXWXVMUNAFJ-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine
CID 62482439
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one (CID 113243711) is 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one is O=C(CCNc1cccnn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one?
The InChIKey is FYRCXWXVMUNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(16-9-2-1-3-10-16)6-8-13-11-5-4-7-14-15-11/h4-5,7H,1-3,6,8-10H2,(H,13,15).
What are the key properties of 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one?
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one is sourced from PubChem (CID 113243711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).