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

C19H25N7O — CID 126912997

IUPAC3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(-c2ccc3nnc(C4CCN(CC5CCCOC5)CC4)n3n2)c1
InChIInChI=1S/C19H25N7O/c1-3-15(14-27-12-1)13-24-10-6-16(7-11-24)19-22-21-17-4-5-18(23-26(17)19)25-9-2-8-20-25/h2,4-5,8-9,15-16H,1,3,6-7,10-14H2
InChIKeyGNPDJUZBDPQHAP-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.92
Rot. Bonds4

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

3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912997) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126912997
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(-c2ccc3nnc(C4CCN(CC5CCCOC5)CC4)n3n2)c1
InChIInChI=1S/C19H25N7O/c1-3-15(14-27-12-1)13-24-10-6-16(7-11-24)19-22-21-17-4-5-18(23-26(17)19)25-9-2-8-20-25/h2,4-5,8-9,15-16H,1,3,6-7,10-14H2
InChIKeyGNPDJUZBDPQHAP-UHFFFAOYSA-N
XLogP1.92
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912998
6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911111
2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126912797
3-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126912883
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126912881
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582
3-(1-methylsulfonylpiperidin-4-yl)-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912835
cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912802
2-[[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864560
2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126913014
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912807

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912997) is 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cnn(-c2ccc3nnc(C4CCN(CC5CCCOC5)CC4)n3n2)c1.
What is the InChIKey of 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GNPDJUZBDPQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-3-15(14-27-12-1)13-24-10-6-16(7-11-24)19-22-21-17-4-5-18(23-26(17)19)25-9-2-8-20-25/h2,4-5,8-9,15-16H,1,3,6-7,10-14H2.
What are the key properties of 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 367.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).