6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H17N9 — CID 139027758

IUPAC6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(N2CCN(c3ccc4nncn4n3)CC2)n2nccc2n1
InChIInChI=1S/C16H17N9/c1-12-10-16(25-13(19-12)4-5-18-25)23-8-6-22(7-9-23)15-3-2-14-20-17-11-24(14)21-15/h2-5,10-11H,6-9H2,1H3
InChIKeyAQKFSYBQRFLSGB-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.80
Rot. Bonds2

About 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 139027758) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID139027758
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(N2CCN(c3ccc4nncn4n3)CC2)n2nccc2n1
InChIInChI=1S/C16H17N9/c1-12-10-16(25-13(19-12)4-5-18-25)23-8-6-22(7-9-23)15-3-2-14-20-17-11-24(14)21-15/h2-5,10-11H,6-9H2,1H3
InChIKeyAQKFSYBQRFLSGB-UHFFFAOYSA-N
XLogP0.80
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzoxazole
CID 70745553
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133281338
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133281306
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
3-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 155798955
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
7-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56899517
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 56778006
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
CID 155942033
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974777
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 139027758) is 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)n2nccc2n1.
What is the InChIKey of 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AQKFSYBQRFLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-12-10-16(25-13(19-12)4-5-18-25)23-8-6-22(7-9-23)15-3-2-14-20-17-11-24(14)21-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 335.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 139027758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).