[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone

C14H18N4O2 — CID 138808870

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
SMILESCc1nn2ncccc2c1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H18N4O2/c1-10-13(12-3-2-6-15-18(12)16-10)14(20)17-7-4-11(9-19)5-8-17/h2-3,6,11,19H,4-5,7-9H2,1H3
InChIKeyYLKXGEUTMQMSOZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone (PubChem CID 138808870) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
PubChem CID138808870
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
SMILESCc1nn2ncccc2c1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H18N4O2/c1-10-13(12-3-2-6-15-18(12)16-10)14(20)17-7-4-11(9-19)5-8-17/h2-3,6,11,19H,4-5,7-9H2,1H3
InChIKeyYLKXGEUTMQMSOZ-UHFFFAOYSA-N
XLogP0.88
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone (CID 138808870) is [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone is Cc1nn2ncccc2c1C(=O)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The InChIKey is YLKXGEUTMQMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-13(12-3-2-6-15-18(12)16-10)14(20)17-7-4-11(9-19)5-8-17/h2-3,6,11,19H,4-5,7-9H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone is sourced from PubChem (CID 138808870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).