6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H18N6 — CID 62310858

IUPAC6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C(C)N3CCNCC3)n2n1
InChIInChI=1S/C12H18N6/c1-9-3-4-11-14-15-12(18(11)16-9)10(2)17-7-5-13-6-8-17/h3-4,10,13H,5-8H2,1-2H3
InChIKeyQBISGMVDLAQRFM-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.40
Rot. Bonds2

About 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 62310858) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID62310858
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C(C)N3CCNCC3)n2n1
InChIInChI=1S/C12H18N6/c1-9-3-4-11-14-15-12(18(11)16-9)10(2)17-7-5-13-6-8-17/h3-4,10,13H,5-8H2,1-2H3
InChIKeyQBISGMVDLAQRFM-UHFFFAOYSA-N
XLogP0.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 62042380
1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62722324
1-benzhydrylpiperazine;6-(4-benzhydrylpiperazin-1-yl)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 159975340
3,6-difluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171300074
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
3-fluoro-6-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300875
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131439638
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131381916
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 62310858) is 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc2nnc(C(C)N3CCNCC3)n2n1.
What is the InChIKey of 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QBISGMVDLAQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9-3-4-11-14-15-12(18(11)16-9)10(2)17-7-5-13-6-8-17/h3-4,10,13H,5-8H2,1-2H3.
What are the key properties of 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 246.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 62310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).