N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide

C14H20N6O — CID 176503247

IUPACN-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(CC)nn3cnnc23)C1
InChIInChI=1S/C14H20N6O/c1-3-11-7-12(13-17-16-9-20(13)18-11)19-6-5-10(8-19)14(21)15-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyVVKFPSQGIOAIKC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.65
Rot. Bonds4

About N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide

N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide (PubChem CID 176503247) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide
PubChem CID176503247
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(CC)nn3cnnc23)C1
InChIInChI=1S/C14H20N6O/c1-3-11-7-12(13-17-16-9-20(13)18-11)19-6-5-10(8-19)14(21)15-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyVVKFPSQGIOAIKC-UHFFFAOYSA-N
XLogP0.65
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 176501282
(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95861950
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-thiophen-2-ylmethanol
CID 176502386
1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 176505780
6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176504605
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
CID 46381315
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide (CID 176503247) is N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2cc(CC)nn3cnnc23)C1.
What is the InChIKey of N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide?
The InChIKey is VVKFPSQGIOAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-11-7-12(13-17-16-9-20(13)18-11)19-6-5-10(8-19)14(21)15-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,21).
What are the key properties of N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide?
N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 176503247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).