6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H21N7 — CID 126910994

IUPAC6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nccnc1N1CCC(c2nnc3ccc(C4CC4)nn23)CC1
InChIInChI=1S/C18H21N7/c1-12-17(20-9-8-19-12)24-10-6-14(7-11-24)18-22-21-16-5-4-15(13-2-3-13)23-25(16)18/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3
InChIKeyQDCYEJWHGKUZMV-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.48
Rot. Bonds3

About 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126910994) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126910994
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nccnc1N1CCC(c2nnc3ccc(C4CC4)nn23)CC1
InChIInChI=1S/C18H21N7/c1-12-17(20-9-8-19-12)24-10-6-14(7-11-24)18-22-21-16-5-4-15(13-2-3-13)23-25(16)18/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3
InChIKeyQDCYEJWHGKUZMV-UHFFFAOYSA-N
XLogP2.48
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126910994) is 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nccnc1N1CCC(c2nnc3ccc(C4CC4)nn23)CC1.
What is the InChIKey of 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QDCYEJWHGKUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-12-17(20-9-8-19-12)24-10-6-14(7-11-24)18-22-21-16-5-4-15(13-2-3-13)23-25(16)18/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3.
What are the key properties of 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 335.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126910994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).