7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine

C10H14N6 — CID 101070738

IUPAC7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine
SMILESCc1nnc(N2CCCCC2)c2n[nH]nc12
InChIInChI=1S/C10H14N6/c1-7-8-9(13-15-12-8)10(14-11-7)16-5-3-2-4-6-16/h2-6H2,1H3,(H,12,13,15)
InChIKeyMLROHMOGPHHBSF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.05
Rot. Bonds1

About 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine

7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine (PubChem CID 101070738) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine
PubChem CID101070738
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine
SMILESCc1nnc(N2CCCCC2)c2n[nH]nc12
InChIInChI=1S/C10H14N6/c1-7-8-9(13-15-12-8)10(14-11-7)16-5-3-2-4-6-16/h2-6H2,1H3,(H,12,13,15)
InChIKeyMLROHMOGPHHBSF-UHFFFAOYSA-N
XLogP1.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine?
The IUPAC name of 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine (CID 101070738) is 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine.
What is the SMILES notation for 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine?
The canonical SMILES for 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine is Cc1nnc(N2CCCCC2)c2n[nH]nc12.
What is the InChIKey of 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine?
The InChIKey is MLROHMOGPHHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-8-9(13-15-12-8)10(14-11-7)16-5-3-2-4-6-16/h2-6H2,1H3,(H,12,13,15).
What are the key properties of 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine?
7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine has a molecular weight of 218.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-piperidin-1-yl-2H-triazolo[4,5-d]pyridazine is sourced from PubChem (CID 101070738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).