6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H27N5O — CID 126911111

IUPAC6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCN(CC4CCCOC4)CC3)n2nc1C1CC1
InChIInChI=1S/C19H27N5O/c1-2-14(13-25-11-1)12-23-9-7-16(8-10-23)19-21-20-18-6-5-17(15-3-4-15)22-24(18)19/h5-6,14-16H,1-4,7-13H2
InChIKeyRYPHEVMNHYCSAH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.61
Rot. Bonds4

About 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911111) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911111
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCN(CC4CCCOC4)CC3)n2nc1C1CC1
InChIInChI=1S/C19H27N5O/c1-2-14(13-25-11-1)12-23-9-7-16(8-10-23)19-21-20-18-6-5-17(15-3-4-15)22-24(18)19/h5-6,14-16H,1-4,7-13H2
InChIKeyRYPHEVMNHYCSAH-UHFFFAOYSA-N
XLogP2.61
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912997
4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide
CID 126911106
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911067
3-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126911048
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
CID 124755852
6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911074
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121
5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126911027

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911111) is 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nnc(C3CCN(CC4CCCOC4)CC3)n2nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RYPHEVMNHYCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-14(13-25-11-1)12-23-9-7-16(8-10-23)19-21-20-18-6-5-17(15-3-4-15)22-24(18)19/h5-6,14-16H,1-4,7-13H2.
What are the key properties of 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 341.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).