6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C18H19N7 — CID 60520703

IUPAC6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn12
InChIInChI=1S/C18H19N7/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-13(9-11-24)18-19-14-4-2-3-5-15(14)20-18/h2-7,13H,8-11H2,1H3,(H,19,20)
InChIKeyJGFHVPNZWDOICB-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.69
Rot. Bonds2

About 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 60520703) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID60520703
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn12
InChIInChI=1S/C18H19N7/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-13(9-11-24)18-19-14-4-2-3-5-15(14)20-18/h2-7,13H,8-11H2,1H3,(H,19,20)
InChIKeyJGFHVPNZWDOICB-UHFFFAOYSA-N
XLogP2.69
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 75515216
2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
CID 108776236
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
CID 133488992
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-[1-(1-methylpyrazol-3-yl)-4,5-dihydroimidazol-2-yl]piperidin-4-yl]-1H-benzimidazole
CID 166380777
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
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 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 60520703) is 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn12.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JGFHVPNZWDOICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-13(9-11-24)18-19-14-4-2-3-5-15(14)20-18/h2-7,13H,8-11H2,1H3,(H,19,20).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 333.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 60520703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).