6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H14N6 — CID 39033201

IUPAC6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C10H14N6/c1-14-4-6-15(7-5-14)10-3-2-9-12-11-8-16(9)13-10/h2-3,8H,4-7H2,1H3
InChIKeyRSMAVMVWNFCNQT-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.12
Rot. Bonds1

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

6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39033201) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39033201
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C10H14N6/c1-14-4-6-15(7-5-14)10-3-2-9-12-11-8-16(9)13-10/h2-3,8H,4-7H2,1H3
InChIKeyRSMAVMVWNFCNQT-UHFFFAOYSA-N
XLogP-0.12
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 39033201) is 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CN1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RSMAVMVWNFCNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-14-4-6-15(7-5-14)10-3-2-9-12-11-8-16(9)13-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 218.26 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39033201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).