3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one

C14H22N4O — CID 126930419

IUPAC3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2CNCC2CC2)n[nH]1
InChIInChI=1S/C14H22N4O/c19-14-7-6-13(16-17-14)18-8-2-1-3-12(18)10-15-9-11-4-5-11/h6-7,11-12,15H,1-5,8-10H2,(H,17,19)
InChIKeyBIZHSTNQIOXHRT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.13
Rot. Bonds5

About 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one

3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 126930419) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID126930419
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2CNCC2CC2)n[nH]1
InChIInChI=1S/C14H22N4O/c19-14-7-6-13(16-17-14)18-8-2-1-3-12(18)10-15-9-11-4-5-11/h6-7,11-12,15H,1-5,8-10H2,(H,17,19)
InChIKeyBIZHSTNQIOXHRT-UHFFFAOYSA-N
XLogP1.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
4-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyridazin-6-one
CID 155284728
4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 155284729
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 178116543
N-cyclopropyl-2-(3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 52901697
2-(4-aminopiperidin-1-yl)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
CID 116786949
6-(Methyl(1-methylpiperidin-4-yl)amino)pyridazin-3-ol
CID 121205010
6-((1-Methylpiperidin-4-yl)amino)pyridazin-3-ol
CID 121205938
6-(2-Methylpiperidin-1-yl)pyridazin-3-ol
CID 121205956
6-(2-Ethylpiperidin-1-yl)pyridazin-3-ol
CID 121205964
6-(2,6-Dimethylpiperidin-1-yl)pyridazin-3-ol
CID 121205979
6-(3-Aminopiperidin-1-YL)-2-methyl-2,3-dihydropyridazin-3-one
CID 124052725

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 126930419) is 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCCCC2CNCC2CC2)n[nH]1.
What is the InChIKey of 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BIZHSTNQIOXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-7-6-13(16-17-14)18-8-2-1-3-12(18)10-15-9-11-4-5-11/h6-7,11-12,15H,1-5,8-10H2,(H,17,19).
What are the key properties of 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 126930419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).