(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone

C11H15N3O — CID 110849047

IUPAC(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C11H15N3O/c1-9-4-7-14(8-5-9)11(15)10-3-2-6-12-13-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyFTIKPNVEWBMEOE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.35
Rot. Bonds1

About (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone

(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone (PubChem CID 110849047) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone
PubChem CID110849047
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C11H15N3O/c1-9-4-7-14(8-5-9)11(15)10-3-2-6-12-13-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyFTIKPNVEWBMEOE-UHFFFAOYSA-N
XLogP1.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone?
The IUPAC name of (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone (CID 110849047) is (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone is CC1CCN(C(=O)c2cccnn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone?
The InChIKey is FTIKPNVEWBMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-4-7-14(8-5-9)11(15)10-3-2-6-12-13-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone?
(4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone has a molecular weight of 205.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-pyridazin-3-ylmethanone is sourced from PubChem (CID 110849047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).