N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

C16H22N6O — CID 134801010

IUPACN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)C4CCCC4)C3)nn12
InChIInChI=1S/C16H22N6O/c1-11-18-19-14-6-7-15(20-22(11)14)21-9-8-13(10-21)17-16(23)12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,17,23)
InChIKeyORZKFTSQBROWAF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.32
Rot. Bonds3

About N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 134801010) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID134801010
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)C4CCCC4)C3)nn12
InChIInChI=1S/C16H22N6O/c1-11-18-19-14-6-7-15(20-22(11)14)21-9-8-13(10-21)17-16(23)12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,17,23)
InChIKeyORZKFTSQBROWAF-UHFFFAOYSA-N
XLogP1.32
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (CID 134801010) is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is Cc1nnc2ccc(N3CCC(NC(=O)C4CCCC4)C3)nn12.
What is the InChIKey of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is ORZKFTSQBROWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-18-19-14-6-7-15(20-22(11)14)21-9-8-13(10-21)17-16(23)12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,17,23).
What are the key properties of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134801010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).