2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine

C15H17N7 — CID 128729980

IUPAC2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(N3CCC(c4ccncn4)CC3)nn2n1
InChIInChI=1S/C15H17N7/c1-11-18-14-2-3-15(20-22(14)19-11)21-8-5-12(6-9-21)13-4-7-16-10-17-13/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyNXFYQARCVGKCRR-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine

2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 128729980) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID128729980
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(N3CCC(c4ccncn4)CC3)nn2n1
InChIInChI=1S/C15H17N7/c1-11-18-14-2-3-15(20-22(14)19-11)21-8-5-12(6-9-21)13-4-7-16-10-17-13/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyNXFYQARCVGKCRR-UHFFFAOYSA-N
XLogP1.61
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 136554767
2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol
CID 129433337
2-[4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 154757747
6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 124881315
6-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974869
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine
CID 77083838
4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841795
4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841796
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine (CID 128729980) is 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine is Cc1nc2ccc(N3CCC(c4ccncn4)CC3)nn2n1.
What is the InChIKey of 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is NXFYQARCVGKCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-11-18-14-2-3-15(20-22(14)19-11)21-8-5-12(6-9-21)13-4-7-16-10-17-13/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 295.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-pyrimidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 128729980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).