4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine

C18H18N8O — CID 126911822

IUPAC4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1ccc2nnc(C3CCN(c4ncnc5cnccc45)CC3)n2n1
InChIInChI=1S/C18H18N8O/c1-27-16-3-2-15-22-23-17(26(15)24-16)12-5-8-25(9-6-12)18-13-4-7-19-10-14(13)20-11-21-18/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyVQGRDBQFVRRKJG-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.86
Rot. Bonds3

About 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 126911822) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID126911822
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1ccc2nnc(C3CCN(c4ncnc5cnccc45)CC3)n2n1
InChIInChI=1S/C18H18N8O/c1-27-16-3-2-15-22-23-17(26(15)24-16)12-5-8-25(9-6-12)18-13-4-7-19-10-14(13)20-11-21-18/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyVQGRDBQFVRRKJG-UHFFFAOYSA-N
XLogP1.86
TPSA94.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126911734
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 126910867
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911757
3-[1-(2-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911766
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
CID 126911736

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine (CID 126911822) is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine is COc1ccc2nnc(C3CCN(c4ncnc5cnccc45)CC3)n2n1.
What is the InChIKey of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is VQGRDBQFVRRKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-27-16-3-2-15-22-23-17(26(15)24-16)12-5-8-25(9-6-12)18-13-4-7-19-10-14(13)20-11-21-18/h2-4,7,10-12H,5-6,8-9H2,1H3.
What are the key properties of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 362.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 126911822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).