8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C12H18N6 — CID 39861282

IUPAC8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2cc(C)nn3cnnc23)CC1
InChIInChI=1S/C12H18N6/c1-3-16-4-6-17(7-5-16)11-8-10(2)15-18-9-13-14-12(11)18/h8-9H,3-7H2,1-2H3
InChIKeyOFESGMCKWUDEFH-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.57
Rot. Bonds2

About 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39861282) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39861282
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2cc(C)nn3cnnc23)CC1
InChIInChI=1S/C12H18N6/c1-3-16-4-6-17(7-5-16)11-8-10(2)15-18-9-13-14-12(11)18/h8-9H,3-7H2,1-2H3
InChIKeyOFESGMCKWUDEFH-UHFFFAOYSA-N
XLogP0.57
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide
CID 176506057
6-methyl-8-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176503005
8-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176502925
6-ethyl-8-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176503856
6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176504605
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol
CID 176503237
1-[4-(4-ethylpiperazin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81249737
4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde
CID 165452447
4-(4-ethylpiperazin-1-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 56737337
8-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176506081
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 39861282) is 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is CCN1CCN(c2cc(C)nn3cnnc23)CC1.
What is the InChIKey of 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OFESGMCKWUDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-16-4-6-17(7-5-16)11-8-10(2)15-18-9-13-14-12(11)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 246.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39861282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).