[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C18H22N8O — CID 126911891

IUPAC[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)cn1
InChIInChI=1S/C18H22N8O/c1-12-10-20-14(11-19-12)18(27)25-8-6-13(7-9-25)17-22-21-15-4-5-16(24(2)3)23-26(15)17/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyRWOYWGMBSDYEPW-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.31
Rot. Bonds3

About [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 126911891) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID126911891
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)cn1
InChIInChI=1S/C18H22N8O/c1-12-10-20-14(11-19-12)18(27)25-8-6-13(7-9-25)17-22-21-15-4-5-16(24(2)3)23-26(15)17/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyRWOYWGMBSDYEPW-UHFFFAOYSA-N
XLogP1.31
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 126911891) is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)cn1.
What is the InChIKey of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is RWOYWGMBSDYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12-10-20-14(11-19-12)18(27)25-8-6-13(7-9-25)17-22-21-15-4-5-16(24(2)3)23-26(15)17/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 126911891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).