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

C20H25N7O — CID 126910484

IUPAC[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)cn1
InChIInChI=1S/C20H25N7O/c1-13-11-22-15(12-21-13)19(28)26-9-7-14(8-10-26)18-24-23-17-6-5-16(20(2,3)4)25-27(17)18/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyVPZVVVDYMPBMTE-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.54
Rot. Bonds2

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

[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 126910484) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID126910484
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)cn1
InChIInChI=1S/C20H25N7O/c1-13-11-22-15(12-21-13)19(28)26-9-7-14(8-10-26)18-24-23-17-6-5-16(20(2,3)4)25-27(17)18/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyVPZVVVDYMPBMTE-UHFFFAOYSA-N
XLogP2.54
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 126910484) is [4-(6-tert-butyl-[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-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3nnc4ccc(C(C)(C)C)nn34)CC2)cn1.
What is the InChIKey of [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is VPZVVVDYMPBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13-11-22-15(12-21-13)19(28)26-9-7-14(8-10-26)18-24-23-17-6-5-16(20(2,3)4)25-27(17)18/h5-6,11-12,14H,7-10H2,1-4H3.
What are the key properties of [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 379.47 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 126910484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).