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

C16H24N6O — CID 126789272

IUPAC3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(CCC4CCCO4)CC3)nn12
InChIInChI=1S/C16H24N6O/c1-13-17-18-15-4-5-16(19-22(13)15)21-10-8-20(9-11-21)7-6-14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3
InChIKeyIKLVDZZATCRBMT-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.12
Rot. Bonds4

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

3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126789272) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126789272
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(CCC4CCCO4)CC3)nn12
InChIInChI=1S/C16H24N6O/c1-13-17-18-15-4-5-16(19-22(13)15)21-10-8-20(9-11-21)7-6-14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3
InChIKeyIKLVDZZATCRBMT-UHFFFAOYSA-N
XLogP1.12
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-methyl-6-[4-(oxan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 56778614
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492
6-(4-but-3-ynylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133407069
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
6-[(3R)-3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97075061
6-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 20880723
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
N-[(1S)-1-cyclopropylethyl]-2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 95347251
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975191
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126789272) is 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCN(CCC4CCCO4)CC3)nn12.
What is the InChIKey of 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IKLVDZZATCRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-17-18-15-4-5-16(19-22(13)15)21-10-8-20(9-11-21)7-6-14-3-2-12-23-14/h4-5,14H,2-3,6-12H2,1H3.
What are the key properties of 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 316.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).