1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one

C17H21N7O — CID 126910208

IUPAC1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
SMILESCc1ccc2nnc(C3CCN(CCn4cccnc4=O)CC3)n2n1
InChIInChI=1S/C17H21N7O/c1-13-3-4-15-19-20-16(24(15)21-13)14-5-9-22(10-6-14)11-12-23-8-2-7-18-17(23)25/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyDKYMUUJRQZHHIG-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one

1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one (PubChem CID 126910208) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
PubChem CID126910208
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
SMILESCc1ccc2nnc(C3CCN(CCn4cccnc4=O)CC3)n2n1
InChIInChI=1S/C17H21N7O/c1-13-3-4-15-19-20-16(24(15)21-13)14-5-9-22(10-6-14)11-12-23-8-2-7-18-17(23)25/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyDKYMUUJRQZHHIG-UHFFFAOYSA-N
XLogP0.87
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
CID 126910207
3-[2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-6-methylpyrimidin-4-one
CID 126910659
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
6-tert-butyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910574
1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126910396
6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910135
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126910227
3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910111
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126910333
6-tert-butyl-3-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one (CID 126910208) is 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one is Cc1ccc2nnc(C3CCN(CCn4cccnc4=O)CC3)n2n1.
What is the InChIKey of 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one?
The InChIKey is DKYMUUJRQZHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-13-3-4-15-19-20-16(24(15)21-13)14-5-9-22(10-6-14)11-12-23-8-2-7-18-17(23)25/h2-4,7-8,14H,5-6,9-12H2,1H3.
What are the key properties of 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one?
1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 126910208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).